USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -157:sc= -0.0213 (180deg=-0.549) USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= -1.06 (180deg=-3.92!) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.069) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 43:sc= -0.0937 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= -0.185 (180deg=-2.87!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.0222 (180deg=-0.24) USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.77 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= -0.0333 (180deg=-0.246) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0899) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.042) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0975 X(o=-0.098,f=-0.36) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.00871 (180deg=-0.00588) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 16.168 -15.468 12.098 1.00 50.43 N ATOM 2 CA GLY A -2 15.180 -14.478 11.711 1.00 43.35 C ATOM 3 C GLY A -2 13.834 -15.095 11.390 1.00 74.14 C ATOM 4 O GLY A -2 13.318 -15.908 12.156 1.00 12.44 O ATOM 0 H1 GLY A -2 17.070 -14.995 12.307 1.00 50.43 H new ATOM 0 H2 GLY A -2 15.839 -15.975 12.944 1.00 50.43 H new ATOM 0 H3 GLY A -2 16.304 -16.145 11.320 1.00 50.43 H new ATOM 0 HA2 GLY A -2 15.061 -13.754 12.517 1.00 43.35 H new ATOM 0 HA3 GLY A -2 15.541 -13.930 10.841 1.00 43.35 H new ATOM 8 N SER A -1 13.263 -14.708 10.254 1.00 73.34 N ATOM 9 CA SER A -1 11.966 -15.226 9.835 1.00 54.24 C ATOM 10 C SER A -1 11.907 -15.383 8.318 1.00 54.41 C ATOM 11 O SER A -1 12.704 -14.792 7.590 1.00 23.22 O ATOM 12 CB SER A -1 10.846 -14.296 10.306 1.00 34.55 C ATOM 13 OG SER A -1 10.884 -13.060 9.616 1.00 43.13 O ATOM 0 H SER A -1 13.678 -14.037 9.607 1.00 73.34 H new ATOM 0 HA SER A -1 11.830 -16.207 10.290 1.00 54.24 H new ATOM 0 HB2 SER A -1 9.880 -14.775 10.146 1.00 34.55 H new ATOM 0 HB3 SER A -1 10.942 -14.121 11.378 1.00 34.55 H new ATOM 0 HG SER A -1 10.157 -12.485 9.934 1.00 43.13 H new ATOM 19 N HIS A 0 10.956 -16.184 7.849 1.00 32.30 N ATOM 20 CA HIS A 0 10.791 -16.420 6.419 1.00 21.04 C ATOM 21 C HIS A 0 10.405 -15.133 5.698 1.00 52.51 C ATOM 22 O HIS A 0 10.798 -14.909 4.553 1.00 51.42 O ATOM 23 CB HIS A 0 9.729 -17.493 6.176 1.00 22.41 C ATOM 24 CG HIS A 0 10.081 -18.826 6.760 1.00 11.33 C ATOM 25 ND1 HIS A 0 9.162 -19.636 7.395 1.00 75.15 N ATOM 26 CD2 HIS A 0 11.258 -19.492 6.803 1.00 65.11 C ATOM 27 CE1 HIS A 0 9.759 -20.741 7.803 1.00 4.42 C ATOM 28 NE2 HIS A 0 11.033 -20.678 7.456 1.00 34.14 N ATOM 0 H HIS A 0 10.288 -16.681 8.438 1.00 32.30 H new ATOM 0 HA HIS A 0 11.744 -16.767 6.021 1.00 21.04 H new ATOM 0 HB2 HIS A 0 8.782 -17.158 6.600 1.00 22.41 H new ATOM 0 HB3 HIS A 0 9.576 -17.605 5.103 1.00 22.41 H new ATOM 0 HD2 HIS A 0 12.200 -19.153 6.398 1.00 65.11 H new ATOM 0 HE1 HIS A 0 9.287 -21.557 8.330 1.00 4.42 H new ATOM 0 HE2 HIS A 0 11.735 -21.394 7.643 1.00 34.14 H new ATOM 36 N MET A 1 9.631 -14.290 6.374 1.00 40.40 N ATOM 37 CA MET A 1 9.192 -13.024 5.798 1.00 54.14 C ATOM 38 C MET A 1 10.249 -11.942 5.992 1.00 4.20 C ATOM 39 O MET A 1 11.237 -12.145 6.699 1.00 71.34 O ATOM 40 CB MET A 1 7.870 -12.582 6.428 1.00 22.44 C ATOM 41 CG MET A 1 6.850 -13.703 6.549 1.00 74.14 C ATOM 42 SD MET A 1 5.161 -13.090 6.703 1.00 31.32 S ATOM 43 CE MET A 1 4.500 -13.512 5.094 1.00 55.35 C ATOM 0 H MET A 1 9.295 -14.461 7.322 1.00 40.40 H new ATOM 0 HA MET A 1 9.043 -13.173 4.729 1.00 54.14 H new ATOM 0 HB2 MET A 1 8.068 -12.173 7.419 1.00 22.44 H new ATOM 0 HB3 MET A 1 7.443 -11.777 5.830 1.00 22.44 H new ATOM 0 HG2 MET A 1 6.920 -14.349 5.674 1.00 74.14 H new ATOM 0 HG3 MET A 1 7.091 -14.316 7.417 1.00 74.14 H new ATOM 0 HE1 MET A 1 3.459 -13.196 5.034 1.00 55.35 H new ATOM 0 HE2 MET A 1 5.078 -13.008 4.320 1.00 55.35 H new ATOM 0 HE3 MET A 1 4.560 -14.590 4.947 1.00 55.35 H new ATOM 53 N VAL A 2 10.035 -10.791 5.362 1.00 71.42 N ATOM 54 CA VAL A 2 10.970 -9.677 5.466 1.00 15.41 C ATOM 55 C VAL A 2 10.613 -8.770 6.639 1.00 33.13 C ATOM 56 O VAL A 2 9.469 -8.748 7.093 1.00 45.00 O ATOM 57 CB VAL A 2 10.993 -8.841 4.173 1.00 12.45 C ATOM 58 CG1 VAL A 2 11.533 -9.664 3.015 1.00 71.42 C ATOM 59 CG2 VAL A 2 9.602 -8.309 3.858 1.00 31.12 C ATOM 0 H VAL A 2 9.222 -10.606 4.774 1.00 71.42 H new ATOM 0 HA VAL A 2 11.959 -10.106 5.629 1.00 15.41 H new ATOM 0 HB VAL A 2 11.657 -7.990 4.323 1.00 12.45 H new ATOM 0 HG11 VAL A 2 11.542 -9.057 2.110 1.00 71.42 H new ATOM 0 HG12 VAL A 2 12.548 -9.991 3.243 1.00 71.42 H new ATOM 0 HG13 VAL A 2 10.897 -10.536 2.861 1.00 71.42 H new ATOM 0 HG21 VAL A 2 9.637 -7.720 2.941 1.00 31.12 H new ATOM 0 HG22 VAL A 2 8.914 -9.144 3.727 1.00 31.12 H new ATOM 0 HG23 VAL A 2 9.258 -7.681 4.680 1.00 31.12 H new ATOM 69 N GLU A 3 11.600 -8.024 7.124 1.00 63.45 N ATOM 70 CA GLU A 3 11.390 -7.115 8.245 1.00 44.32 C ATOM 71 C GLU A 3 11.130 -5.694 7.752 1.00 41.30 C ATOM 72 O GLU A 3 10.444 -4.913 8.411 1.00 72.22 O ATOM 73 CB GLU A 3 12.604 -7.129 9.176 1.00 43.22 C ATOM 74 CG GLU A 3 13.875 -6.607 8.526 1.00 22.22 C ATOM 75 CD GLU A 3 15.103 -6.825 9.390 1.00 2.21 C ATOM 76 OE1 GLU A 3 15.116 -6.329 10.536 1.00 22.10 O ATOM 77 OE2 GLU A 3 16.049 -7.490 8.919 1.00 3.34 O ATOM 0 H GLU A 3 12.552 -8.031 6.759 1.00 63.45 H new ATOM 0 HA GLU A 3 10.514 -7.456 8.797 1.00 44.32 H new ATOM 0 HB2 GLU A 3 12.383 -6.527 10.057 1.00 43.22 H new ATOM 0 HB3 GLU A 3 12.775 -8.149 9.521 1.00 43.22 H new ATOM 0 HG2 GLU A 3 14.018 -7.103 7.566 1.00 22.22 H new ATOM 0 HG3 GLU A 3 13.763 -5.542 8.321 1.00 22.22 H new ATOM 84 N MET A 4 11.683 -5.367 6.588 1.00 31.11 N ATOM 85 CA MET A 4 11.510 -4.041 6.006 1.00 5.15 C ATOM 86 C MET A 4 10.374 -4.037 4.989 1.00 34.23 C ATOM 87 O MET A 4 10.181 -5.008 4.257 1.00 41.05 O ATOM 88 CB MET A 4 12.809 -3.580 5.339 1.00 14.32 C ATOM 89 CG MET A 4 13.001 -2.073 5.364 1.00 64.25 C ATOM 90 SD MET A 4 14.521 -1.555 4.541 1.00 53.22 S ATOM 91 CE MET A 4 14.987 -0.147 5.546 1.00 73.51 C ATOM 0 H MET A 4 12.254 -6.002 6.030 1.00 31.11 H new ATOM 0 HA MET A 4 11.257 -3.349 6.809 1.00 5.15 H new ATOM 0 HB2 MET A 4 13.653 -4.054 5.839 1.00 14.32 H new ATOM 0 HB3 MET A 4 12.818 -3.922 4.304 1.00 14.32 H new ATOM 0 HG2 MET A 4 12.149 -1.594 4.882 1.00 64.25 H new ATOM 0 HG3 MET A 4 13.017 -1.729 6.398 1.00 64.25 H new ATOM 0 HE1 MET A 4 15.912 0.284 5.162 1.00 73.51 H new ATOM 0 HE2 MET A 4 14.196 0.602 5.512 1.00 73.51 H new ATOM 0 HE3 MET A 4 15.137 -0.469 6.576 1.00 73.51 H new ATOM 101 N ARG A 5 9.624 -2.941 4.950 1.00 1.24 N ATOM 102 CA ARG A 5 8.505 -2.813 4.024 1.00 12.15 C ATOM 103 C ARG A 5 7.901 -1.413 4.092 1.00 33.43 C ATOM 104 O ARG A 5 7.863 -0.794 5.154 1.00 3.22 O ATOM 105 CB ARG A 5 7.433 -3.858 4.338 1.00 32.30 C ATOM 106 CG ARG A 5 6.931 -3.804 5.772 1.00 70.51 C ATOM 107 CD ARG A 5 5.763 -2.841 5.917 1.00 62.11 C ATOM 108 NE ARG A 5 4.770 -3.326 6.872 1.00 41.05 N ATOM 109 CZ ARG A 5 3.553 -2.808 6.992 1.00 71.04 C ATOM 110 NH1 ARG A 5 3.180 -1.795 6.221 1.00 30.41 N ATOM 111 NH2 ARG A 5 2.704 -3.304 7.884 1.00 41.04 N ATOM 0 H ARG A 5 9.771 -2.129 5.549 1.00 1.24 H new ATOM 0 HA ARG A 5 8.880 -2.980 3.014 1.00 12.15 H new ATOM 0 HB2 ARG A 5 6.590 -3.716 3.661 1.00 32.30 H new ATOM 0 HB3 ARG A 5 7.837 -4.851 4.140 1.00 32.30 H new ATOM 0 HG2 ARG A 5 6.624 -4.801 6.089 1.00 70.51 H new ATOM 0 HG3 ARG A 5 7.742 -3.496 6.431 1.00 70.51 H new ATOM 0 HD2 ARG A 5 6.133 -1.868 6.241 1.00 62.11 H new ATOM 0 HD3 ARG A 5 5.291 -2.695 4.946 1.00 62.11 H new ATOM 0 HE ARG A 5 5.025 -4.105 7.480 1.00 41.05 H new ATOM 0 HH11 ARG A 5 3.829 -1.412 5.533 1.00 30.41 H new ATOM 0 HH12 ARG A 5 2.245 -1.400 6.316 1.00 30.41 H new ATOM 0 HH21 ARG A 5 2.986 -4.084 8.478 1.00 41.04 H new ATOM 0 HH22 ARG A 5 1.770 -2.905 7.975 1.00 41.04 H new ATOM 125 N MET A 6 7.431 -0.921 2.951 1.00 72.42 N ATOM 126 CA MET A 6 6.828 0.405 2.880 1.00 31.03 C ATOM 127 C MET A 6 6.250 0.666 1.494 1.00 51.30 C ATOM 128 O MET A 6 6.148 -0.243 0.670 1.00 52.44 O ATOM 129 CB MET A 6 7.863 1.477 3.225 1.00 1.11 C ATOM 130 CG MET A 6 8.939 1.647 2.165 1.00 2.41 C ATOM 131 SD MET A 6 10.576 1.915 2.872 1.00 53.11 S ATOM 132 CE MET A 6 10.233 3.245 4.023 1.00 61.21 C ATOM 0 H MET A 6 7.456 -1.421 2.062 1.00 72.42 H new ATOM 0 HA MET A 6 6.016 0.447 3.606 1.00 31.03 H new ATOM 0 HB2 MET A 6 7.353 2.430 3.369 1.00 1.11 H new ATOM 0 HB3 MET A 6 8.336 1.222 4.173 1.00 1.11 H new ATOM 0 HG2 MET A 6 8.962 0.761 1.531 1.00 2.41 H new ATOM 0 HG3 MET A 6 8.682 2.490 1.524 1.00 2.41 H new ATOM 0 HE1 MET A 6 11.152 3.793 4.231 1.00 61.21 H new ATOM 0 HE2 MET A 6 9.498 3.922 3.588 1.00 61.21 H new ATOM 0 HE3 MET A 6 9.840 2.830 4.951 1.00 61.21 H new ATOM 142 N LYS A 7 5.871 1.915 1.241 1.00 22.24 N ATOM 143 CA LYS A 7 5.305 2.298 -0.047 1.00 11.44 C ATOM 144 C LYS A 7 6.033 3.506 -0.624 1.00 62.20 C ATOM 145 O LYS A 7 6.929 4.065 0.009 1.00 44.02 O ATOM 146 CB LYS A 7 3.814 2.612 0.103 1.00 33.13 C ATOM 147 CG LYS A 7 3.506 3.576 1.236 1.00 51.32 C ATOM 148 CD LYS A 7 2.167 3.266 1.885 1.00 61.24 C ATOM 149 CE LYS A 7 1.026 3.369 0.885 1.00 60.22 C ATOM 150 NZ LYS A 7 -0.283 3.005 1.496 1.00 25.54 N ATOM 0 H LYS A 7 5.946 2.680 1.912 1.00 22.24 H new ATOM 0 HA LYS A 7 5.428 1.460 -0.734 1.00 11.44 H new ATOM 0 HB2 LYS A 7 3.444 3.033 -0.832 1.00 33.13 H new ATOM 0 HB3 LYS A 7 3.271 1.682 0.271 1.00 33.13 H new ATOM 0 HG2 LYS A 7 4.296 3.522 1.985 1.00 51.32 H new ATOM 0 HG3 LYS A 7 3.498 4.597 0.854 1.00 51.32 H new ATOM 0 HD2 LYS A 7 2.191 2.262 2.309 1.00 61.24 H new ATOM 0 HD3 LYS A 7 1.993 3.957 2.710 1.00 61.24 H new ATOM 0 HE2 LYS A 7 0.975 4.386 0.496 1.00 60.22 H new ATOM 0 HE3 LYS A 7 1.226 2.713 0.037 1.00 60.22 H new ATOM 0 HZ1 LYS A 7 -0.812 2.391 0.844 1.00 25.54 H new ATOM 0 HZ2 LYS A 7 -0.120 2.501 2.391 1.00 25.54 H new ATOM 0 HZ3 LYS A 7 -0.832 3.869 1.680 1.00 25.54 H new ATOM 164 N LYS A 8 5.643 3.906 -1.830 1.00 63.31 N ATOM 165 CA LYS A 8 6.257 5.049 -2.494 1.00 41.12 C ATOM 166 C LYS A 8 5.232 5.808 -3.332 1.00 32.14 C ATOM 167 O LYS A 8 4.284 5.218 -3.851 1.00 60.42 O ATOM 168 CB LYS A 8 7.416 4.589 -3.381 1.00 62.31 C ATOM 169 CG LYS A 8 8.231 5.733 -3.960 1.00 71.12 C ATOM 170 CD LYS A 8 9.223 5.241 -5.001 1.00 14.22 C ATOM 171 CE LYS A 8 8.524 4.847 -6.293 1.00 52.34 C ATOM 172 NZ LYS A 8 9.227 3.734 -6.988 1.00 64.53 N ATOM 0 H LYS A 8 4.903 3.454 -2.368 1.00 63.31 H new ATOM 0 HA LYS A 8 6.640 5.720 -1.725 1.00 41.12 H new ATOM 0 HB2 LYS A 8 8.074 3.944 -2.799 1.00 62.31 H new ATOM 0 HB3 LYS A 8 7.020 3.986 -4.198 1.00 62.31 H new ATOM 0 HG2 LYS A 8 7.562 6.465 -4.412 1.00 71.12 H new ATOM 0 HG3 LYS A 8 8.766 6.242 -3.158 1.00 71.12 H new ATOM 0 HD2 LYS A 8 9.955 6.022 -5.206 1.00 14.22 H new ATOM 0 HD3 LYS A 8 9.771 4.385 -4.607 1.00 14.22 H new ATOM 0 HE2 LYS A 8 7.499 4.548 -6.074 1.00 52.34 H new ATOM 0 HE3 LYS A 8 8.470 5.712 -6.955 1.00 52.34 H new ATOM 0 HZ1 LYS A 8 8.658 3.416 -7.798 1.00 64.53 H new ATOM 0 HZ2 LYS A 8 10.154 4.065 -7.324 1.00 64.53 H new ATOM 0 HZ3 LYS A 8 9.361 2.942 -6.327 1.00 64.53 H new ATOM 186 N CYS A 9 5.430 7.115 -3.458 1.00 41.45 N ATOM 187 CA CYS A 9 4.522 7.953 -4.233 1.00 43.13 C ATOM 188 C CYS A 9 4.690 7.698 -5.728 1.00 11.21 C ATOM 189 O CYS A 9 5.748 7.940 -6.309 1.00 15.12 O ATOM 190 CB CYS A 9 4.770 9.430 -3.924 1.00 63.15 C ATOM 191 SG CYS A 9 3.589 10.556 -4.705 1.00 4.14 S ATOM 0 H CYS A 9 6.210 7.617 -3.034 1.00 41.45 H new ATOM 0 HA CYS A 9 3.500 7.697 -3.952 1.00 43.13 H new ATOM 0 HB2 CYS A 9 4.735 9.575 -2.844 1.00 63.15 H new ATOM 0 HB3 CYS A 9 5.777 9.694 -4.248 1.00 63.15 H new ATOM 196 N PRO A 10 3.622 7.197 -6.367 1.00 3.43 N ATOM 197 CA PRO A 10 3.626 6.898 -7.801 1.00 41.21 C ATOM 198 C PRO A 10 3.669 8.160 -8.657 1.00 35.25 C ATOM 199 O PRO A 10 3.791 8.089 -9.880 1.00 24.33 O ATOM 200 CB PRO A 10 2.305 6.153 -8.012 1.00 42.41 C ATOM 201 CG PRO A 10 1.423 6.628 -6.910 1.00 13.44 C ATOM 202 CD PRO A 10 2.327 6.887 -5.737 1.00 31.54 C ATOM 0 HA PRO A 10 4.506 6.326 -8.095 1.00 41.21 H new ATOM 0 HB2 PRO A 10 1.875 6.378 -8.988 1.00 42.41 H new ATOM 0 HB3 PRO A 10 2.448 5.073 -7.968 1.00 42.41 H new ATOM 0 HG2 PRO A 10 0.891 7.534 -7.200 1.00 13.44 H new ATOM 0 HG3 PRO A 10 0.669 5.880 -6.664 1.00 13.44 H new ATOM 0 HD2 PRO A 10 1.968 7.716 -5.128 1.00 31.54 H new ATOM 0 HD3 PRO A 10 2.396 6.018 -5.083 1.00 31.54 H new ATOM 210 N LYS A 11 3.566 9.314 -8.006 1.00 53.14 N ATOM 211 CA LYS A 11 3.595 10.592 -8.708 1.00 11.15 C ATOM 212 C LYS A 11 5.002 11.179 -8.710 1.00 23.10 C ATOM 213 O LYS A 11 5.476 11.676 -9.733 1.00 34.12 O ATOM 214 CB LYS A 11 2.621 11.576 -8.055 1.00 21.03 C ATOM 215 CG LYS A 11 1.366 11.824 -8.874 1.00 32.34 C ATOM 216 CD LYS A 11 0.510 10.572 -8.974 1.00 41.42 C ATOM 217 CE LYS A 11 -0.671 10.779 -9.910 1.00 52.13 C ATOM 218 NZ LYS A 11 -1.770 11.544 -9.256 1.00 61.44 N ATOM 0 H LYS A 11 3.462 9.390 -6.994 1.00 53.14 H new ATOM 0 HA LYS A 11 3.291 10.419 -9.740 1.00 11.15 H new ATOM 0 HB2 LYS A 11 2.335 11.195 -7.075 1.00 21.03 H new ATOM 0 HB3 LYS A 11 3.132 12.525 -7.892 1.00 21.03 H new ATOM 0 HG2 LYS A 11 0.786 12.627 -8.419 1.00 32.34 H new ATOM 0 HG3 LYS A 11 1.643 12.158 -9.874 1.00 32.34 H new ATOM 0 HD2 LYS A 11 1.118 9.741 -9.332 1.00 41.42 H new ATOM 0 HD3 LYS A 11 0.147 10.298 -7.983 1.00 41.42 H new ATOM 0 HE2 LYS A 11 -0.339 11.311 -10.802 1.00 52.13 H new ATOM 0 HE3 LYS A 11 -1.048 9.811 -10.239 1.00 52.13 H new ATOM 0 HZ1 LYS A 11 -2.556 11.664 -9.926 1.00 61.44 H new ATOM 0 HZ2 LYS A 11 -2.105 11.024 -8.419 1.00 61.44 H new ATOM 0 HZ3 LYS A 11 -1.417 12.478 -8.965 1.00 61.44 H new ATOM 232 N CYS A 12 5.666 11.120 -7.561 1.00 34.53 N ATOM 233 CA CYS A 12 7.020 11.644 -7.431 1.00 5.30 C ATOM 234 C CYS A 12 8.033 10.512 -7.302 1.00 10.22 C ATOM 235 O CYS A 12 8.970 10.411 -8.092 1.00 32.30 O ATOM 236 CB CYS A 12 7.116 12.571 -6.219 1.00 1.31 C ATOM 237 SG CYS A 12 5.720 13.708 -6.046 1.00 73.43 S ATOM 0 H CYS A 12 5.288 10.714 -6.705 1.00 34.53 H new ATOM 0 HA CYS A 12 7.251 12.211 -8.333 1.00 5.30 H new ATOM 0 HB2 CYS A 12 7.191 11.965 -5.316 1.00 1.31 H new ATOM 0 HB3 CYS A 12 8.036 13.151 -6.291 1.00 1.31 H new ATOM 242 N GLY A 13 7.838 9.662 -6.298 1.00 54.33 N ATOM 243 CA GLY A 13 8.743 8.549 -6.082 1.00 32.34 C ATOM 244 C GLY A 13 9.400 8.591 -4.716 1.00 43.41 C ATOM 245 O GLY A 13 10.532 8.134 -4.548 1.00 53.43 O ATOM 0 H GLY A 13 7.069 9.725 -5.631 1.00 54.33 H new ATOM 0 HA2 GLY A 13 8.195 7.613 -6.189 1.00 32.34 H new ATOM 0 HA3 GLY A 13 9.514 8.557 -6.853 1.00 32.34 H new ATOM 249 N LEU A 14 8.690 9.143 -3.738 1.00 33.02 N ATOM 250 CA LEU A 14 9.211 9.246 -2.379 1.00 71.34 C ATOM 251 C LEU A 14 8.712 8.091 -1.516 1.00 0.30 C ATOM 252 O LEU A 14 7.514 7.811 -1.470 1.00 1.13 O ATOM 253 CB LEU A 14 8.800 10.580 -1.754 1.00 61.31 C ATOM 254 CG LEU A 14 8.740 10.615 -0.226 1.00 63.20 C ATOM 255 CD1 LEU A 14 10.112 10.337 0.368 1.00 12.14 C ATOM 256 CD2 LEU A 14 8.209 11.957 0.256 1.00 64.21 C ATOM 0 H LEU A 14 7.753 9.526 -3.860 1.00 33.02 H new ATOM 0 HA LEU A 14 10.299 9.195 -2.428 1.00 71.34 H new ATOM 0 HB2 LEU A 14 9.500 11.346 -2.088 1.00 61.31 H new ATOM 0 HB3 LEU A 14 7.819 10.854 -2.143 1.00 61.31 H new ATOM 0 HG LEU A 14 8.057 9.835 0.110 1.00 63.20 H new ATOM 0 HD11 LEU A 14 10.050 10.366 1.456 1.00 12.14 H new ATOM 0 HD12 LEU A 14 10.453 9.352 0.050 1.00 12.14 H new ATOM 0 HD13 LEU A 14 10.817 11.094 0.024 1.00 12.14 H new ATOM 0 HD21 LEU A 14 8.173 11.964 1.345 1.00 64.21 H new ATOM 0 HD22 LEU A 14 8.867 12.754 -0.091 1.00 64.21 H new ATOM 0 HD23 LEU A 14 7.206 12.115 -0.141 1.00 64.21 H new ATOM 268 N TYR A 15 9.637 7.428 -0.832 1.00 70.41 N ATOM 269 CA TYR A 15 9.291 6.303 0.030 1.00 41.13 C ATOM 270 C TYR A 15 8.790 6.791 1.386 1.00 72.31 C ATOM 271 O TYR A 15 9.246 7.814 1.899 1.00 51.22 O ATOM 272 CB TYR A 15 10.501 5.388 0.220 1.00 71.43 C ATOM 273 CG TYR A 15 10.755 4.468 -0.954 1.00 41.25 C ATOM 274 CD1 TYR A 15 10.148 3.221 -1.030 1.00 4.45 C ATOM 275 CD2 TYR A 15 11.601 4.848 -1.989 1.00 43.33 C ATOM 276 CE1 TYR A 15 10.378 2.379 -2.100 1.00 34.04 C ATOM 277 CE2 TYR A 15 11.836 4.013 -3.063 1.00 70.35 C ATOM 278 CZ TYR A 15 11.223 2.779 -3.114 1.00 55.03 C ATOM 279 OH TYR A 15 11.453 1.942 -4.182 1.00 52.34 O ATOM 0 H TYR A 15 10.632 7.650 -0.857 1.00 70.41 H new ATOM 0 HA TYR A 15 8.491 5.741 -0.452 1.00 41.13 H new ATOM 0 HB2 TYR A 15 11.386 6.001 0.389 1.00 71.43 H new ATOM 0 HB3 TYR A 15 10.354 4.787 1.117 1.00 71.43 H new ATOM 0 HD1 TYR A 15 9.485 2.904 -0.239 1.00 4.45 H new ATOM 0 HD2 TYR A 15 12.083 5.814 -1.952 1.00 43.33 H new ATOM 0 HE1 TYR A 15 9.899 1.412 -2.143 1.00 34.04 H new ATOM 0 HE2 TYR A 15 12.496 4.325 -3.859 1.00 70.35 H new ATOM 0 HH TYR A 15 12.070 2.374 -4.809 1.00 52.34 H new ATOM 289 N THR A 16 7.849 6.050 1.963 1.00 5.32 N ATOM 290 CA THR A 16 7.285 6.405 3.259 1.00 44.22 C ATOM 291 C THR A 16 6.313 5.337 3.747 1.00 21.54 C ATOM 292 O THR A 16 6.091 4.331 3.072 1.00 11.21 O ATOM 293 CB THR A 16 6.553 7.760 3.202 1.00 72.14 C ATOM 294 OG1 THR A 16 6.170 8.166 4.519 1.00 10.24 O ATOM 295 CG2 THR A 16 5.321 7.671 2.314 1.00 44.34 C ATOM 0 H THR A 16 7.462 5.200 1.553 1.00 5.32 H new ATOM 0 HA THR A 16 8.120 6.480 3.956 1.00 44.22 H new ATOM 0 HB THR A 16 7.234 8.499 2.779 1.00 72.14 H new ATOM 0 HG1 THR A 16 6.907 7.995 5.141 1.00 10.24 H new ATOM 0 HG21 THR A 16 4.820 8.639 2.289 1.00 44.34 H new ATOM 0 HG22 THR A 16 5.620 7.391 1.304 1.00 44.34 H new ATOM 0 HG23 THR A 16 4.639 6.920 2.712 1.00 44.34 H new ATOM 303 N LEU A 17 5.738 5.561 4.923 1.00 33.14 N ATOM 304 CA LEU A 17 4.788 4.616 5.502 1.00 23.23 C ATOM 305 C LEU A 17 3.519 5.329 5.957 1.00 1.04 C ATOM 306 O LEU A 17 2.619 4.714 6.528 1.00 54.54 O ATOM 307 CB LEU A 17 5.426 3.882 6.683 1.00 21.53 C ATOM 308 CG LEU A 17 6.500 2.851 6.333 1.00 44.34 C ATOM 309 CD1 LEU A 17 7.628 2.889 7.351 1.00 21.31 C ATOM 310 CD2 LEU A 17 5.896 1.457 6.253 1.00 44.22 C ATOM 0 H LEU A 17 5.912 6.388 5.494 1.00 33.14 H new ATOM 0 HA LEU A 17 4.519 3.891 4.733 1.00 23.23 H new ATOM 0 HB2 LEU A 17 5.866 4.623 7.350 1.00 21.53 H new ATOM 0 HB3 LEU A 17 4.637 3.379 7.241 1.00 21.53 H new ATOM 0 HG LEU A 17 6.913 3.102 5.356 1.00 44.34 H new ATOM 0 HD11 LEU A 17 8.383 2.149 7.086 1.00 21.31 H new ATOM 0 HD12 LEU A 17 8.079 3.881 7.357 1.00 21.31 H new ATOM 0 HD13 LEU A 17 7.232 2.664 8.341 1.00 21.31 H new ATOM 0 HD21 LEU A 17 6.675 0.737 6.003 1.00 44.22 H new ATOM 0 HD22 LEU A 17 5.455 1.196 7.215 1.00 44.22 H new ATOM 0 HD23 LEU A 17 5.124 1.438 5.483 1.00 44.22 H new ATOM 322 N LYS A 18 3.454 6.632 5.701 1.00 60.33 N ATOM 323 CA LYS A 18 2.295 7.429 6.081 1.00 51.33 C ATOM 324 C LYS A 18 1.172 7.277 5.059 1.00 12.35 C ATOM 325 O LYS A 18 0.104 7.871 5.205 1.00 3.02 O ATOM 326 CB LYS A 18 2.685 8.903 6.209 1.00 44.31 C ATOM 327 CG LYS A 18 3.530 9.205 7.435 1.00 61.22 C ATOM 328 CD LYS A 18 2.666 9.444 8.662 1.00 25.51 C ATOM 329 CE LYS A 18 2.664 8.236 9.586 1.00 41.13 C ATOM 330 NZ LYS A 18 3.556 8.435 10.762 1.00 32.40 N ATOM 0 H LYS A 18 4.191 7.158 5.232 1.00 60.33 H new ATOM 0 HA LYS A 18 1.937 7.068 7.045 1.00 51.33 H new ATOM 0 HB2 LYS A 18 3.234 9.204 5.317 1.00 44.31 H new ATOM 0 HB3 LYS A 18 1.779 9.508 6.245 1.00 44.31 H new ATOM 0 HG2 LYS A 18 4.209 8.374 7.624 1.00 61.22 H new ATOM 0 HG3 LYS A 18 4.146 10.084 7.246 1.00 61.22 H new ATOM 0 HD2 LYS A 18 3.033 10.316 9.203 1.00 25.51 H new ATOM 0 HD3 LYS A 18 1.645 9.668 8.352 1.00 25.51 H new ATOM 0 HE2 LYS A 18 1.648 8.043 9.930 1.00 41.13 H new ATOM 0 HE3 LYS A 18 2.985 7.354 9.032 1.00 41.13 H new ATOM 0 HZ1 LYS A 18 3.527 7.590 11.367 1.00 32.40 H new ATOM 0 HZ2 LYS A 18 4.531 8.593 10.436 1.00 32.40 H new ATOM 0 HZ3 LYS A 18 3.234 9.261 11.306 1.00 32.40 H new ATOM 344 N GLU A 19 1.421 6.476 4.028 1.00 51.11 N ATOM 345 CA GLU A 19 0.428 6.246 2.984 1.00 23.11 C ATOM 346 C GLU A 19 0.107 7.542 2.244 1.00 33.31 C ATOM 347 O GLU A 19 -0.842 7.602 1.463 1.00 63.15 O ATOM 348 CB GLU A 19 -0.850 5.659 3.585 1.00 2.22 C ATOM 349 CG GLU A 19 -0.617 4.398 4.399 1.00 33.44 C ATOM 350 CD GLU A 19 -1.663 3.331 4.136 1.00 63.42 C ATOM 351 OE1 GLU A 19 -2.798 3.694 3.763 1.00 45.22 O ATOM 352 OE2 GLU A 19 -1.347 2.135 4.304 1.00 14.33 O ATOM 0 H GLU A 19 2.300 5.976 3.893 1.00 51.11 H new ATOM 0 HA GLU A 19 0.845 5.535 2.271 1.00 23.11 H new ATOM 0 HB2 GLU A 19 -1.321 6.409 4.220 1.00 2.22 H new ATOM 0 HB3 GLU A 19 -1.551 5.437 2.780 1.00 2.22 H new ATOM 0 HG2 GLU A 19 0.370 3.998 4.168 1.00 33.44 H new ATOM 0 HG3 GLU A 19 -0.619 4.649 5.460 1.00 33.44 H new ATOM 359 N ILE A 20 0.905 8.573 2.496 1.00 0.35 N ATOM 360 CA ILE A 20 0.706 9.866 1.854 1.00 44.13 C ATOM 361 C ILE A 20 2.040 10.541 1.551 1.00 60.32 C ATOM 362 O ILE A 20 3.000 10.412 2.312 1.00 14.43 O ATOM 363 CB ILE A 20 -0.142 10.806 2.731 1.00 73.14 C ATOM 364 CG1 ILE A 20 -1.487 10.155 3.061 1.00 74.02 C ATOM 365 CG2 ILE A 20 -0.352 12.140 2.029 1.00 31.12 C ATOM 366 CD1 ILE A 20 -2.399 10.010 1.862 1.00 32.32 C ATOM 0 H ILE A 20 1.695 8.538 3.140 1.00 0.35 H new ATOM 0 HA ILE A 20 0.176 9.676 0.921 1.00 44.13 H new ATOM 0 HB ILE A 20 0.392 10.988 3.664 1.00 73.14 H new ATOM 0 HG12 ILE A 20 -1.309 9.170 3.493 1.00 74.02 H new ATOM 0 HG13 ILE A 20 -1.992 10.750 3.822 1.00 74.02 H new ATOM 0 HG21 ILE A 20 -0.953 12.793 2.661 1.00 31.12 H new ATOM 0 HG22 ILE A 20 0.614 12.607 1.839 1.00 31.12 H new ATOM 0 HG23 ILE A 20 -0.868 11.976 1.083 1.00 31.12 H new ATOM 0 HD11 ILE A 20 -3.334 9.541 2.170 1.00 32.32 H new ATOM 0 HD12 ILE A 20 -2.608 10.994 1.443 1.00 32.32 H new ATOM 0 HD13 ILE A 20 -1.913 9.390 1.108 1.00 32.32 H new ATOM 378 N CYS A 21 2.094 11.260 0.435 1.00 34.04 N ATOM 379 CA CYS A 21 3.310 11.955 0.031 1.00 71.13 C ATOM 380 C CYS A 21 3.350 13.363 0.615 1.00 22.30 C ATOM 381 O CYS A 21 2.572 14.240 0.240 1.00 64.32 O ATOM 382 CB CYS A 21 3.403 12.020 -1.495 1.00 15.41 C ATOM 383 SG CYS A 21 4.871 12.877 -2.109 1.00 74.25 S ATOM 0 H CYS A 21 1.309 11.377 -0.206 1.00 34.04 H new ATOM 0 HA CYS A 21 4.163 11.397 0.416 1.00 71.13 H new ATOM 0 HB2 CYS A 21 3.395 11.005 -1.892 1.00 15.41 H new ATOM 0 HB3 CYS A 21 2.515 12.520 -1.881 1.00 15.41 H new ATOM 388 N PRO A 22 4.278 13.587 1.558 1.00 60.44 N ATOM 389 CA PRO A 22 4.443 14.886 2.215 1.00 50.32 C ATOM 390 C PRO A 22 5.003 15.947 1.272 1.00 74.40 C ATOM 391 O PRO A 22 5.087 17.123 1.624 1.00 43.51 O ATOM 392 CB PRO A 22 5.437 14.592 3.341 1.00 51.55 C ATOM 393 CG PRO A 22 6.204 13.406 2.868 1.00 35.40 C ATOM 394 CD PRO A 22 5.240 12.588 2.053 1.00 61.54 C ATOM 0 HA PRO A 22 3.492 15.289 2.563 1.00 50.32 H new ATOM 0 HB2 PRO A 22 6.094 15.443 3.521 1.00 51.55 H new ATOM 0 HB3 PRO A 22 4.922 14.383 4.279 1.00 51.55 H new ATOM 0 HG2 PRO A 22 7.062 13.710 2.268 1.00 35.40 H new ATOM 0 HG3 PRO A 22 6.591 12.830 3.709 1.00 35.40 H new ATOM 0 HD2 PRO A 22 5.742 12.074 1.234 1.00 61.54 H new ATOM 0 HD3 PRO A 22 4.751 11.824 2.657 1.00 61.54 H new ATOM 402 N LYS A 23 5.386 15.522 0.073 1.00 33.10 N ATOM 403 CA LYS A 23 5.938 16.434 -0.922 1.00 31.20 C ATOM 404 C LYS A 23 4.825 17.151 -1.679 1.00 12.00 C ATOM 405 O LYS A 23 4.721 18.377 -1.634 1.00 55.32 O ATOM 406 CB LYS A 23 6.829 15.671 -1.906 1.00 13.54 C ATOM 407 CG LYS A 23 8.211 16.277 -2.071 1.00 24.03 C ATOM 408 CD LYS A 23 9.080 16.025 -0.850 1.00 0.54 C ATOM 409 CE LYS A 23 10.396 15.364 -1.228 1.00 41.42 C ATOM 410 NZ LYS A 23 10.183 14.072 -1.937 1.00 41.15 N ATOM 0 H LYS A 23 5.324 14.551 -0.234 1.00 33.10 H new ATOM 0 HA LYS A 23 6.539 17.180 -0.401 1.00 31.20 H new ATOM 0 HB2 LYS A 23 6.932 14.640 -1.566 1.00 13.54 H new ATOM 0 HB3 LYS A 23 6.337 15.639 -2.878 1.00 13.54 H new ATOM 0 HG2 LYS A 23 8.691 15.855 -2.954 1.00 24.03 H new ATOM 0 HG3 LYS A 23 8.121 17.350 -2.239 1.00 24.03 H new ATOM 0 HD2 LYS A 23 9.279 16.969 -0.343 1.00 0.54 H new ATOM 0 HD3 LYS A 23 8.543 15.391 -0.145 1.00 0.54 H new ATOM 0 HE2 LYS A 23 10.971 16.037 -1.864 1.00 41.42 H new ATOM 0 HE3 LYS A 23 10.988 15.192 -0.329 1.00 41.42 H new ATOM 0 HZ1 LYS A 23 10.711 13.319 -1.452 1.00 41.15 H new ATOM 0 HZ2 LYS A 23 9.169 13.839 -1.937 1.00 41.15 H new ATOM 0 HZ3 LYS A 23 10.520 14.154 -2.918 1.00 41.15 H new ATOM 424 N CYS A 24 3.995 16.379 -2.372 1.00 52.41 N ATOM 425 CA CYS A 24 2.888 16.941 -3.139 1.00 3.30 C ATOM 426 C CYS A 24 1.574 16.804 -2.378 1.00 20.12 C ATOM 427 O CYS A 24 0.713 17.680 -2.441 1.00 13.02 O ATOM 428 CB CYS A 24 2.779 16.250 -4.499 1.00 22.02 C ATOM 429 SG CYS A 24 2.414 14.481 -4.400 1.00 63.14 S ATOM 0 H CYS A 24 4.067 15.363 -2.419 1.00 52.41 H new ATOM 0 HA CYS A 24 3.088 18.001 -3.294 1.00 3.30 H new ATOM 0 HB2 CYS A 24 1.999 16.739 -5.082 1.00 22.02 H new ATOM 0 HB3 CYS A 24 3.715 16.387 -5.041 1.00 22.02 H new ATOM 434 N GLY A 25 1.426 15.696 -1.658 1.00 34.32 N ATOM 435 CA GLY A 25 0.213 15.461 -0.896 1.00 42.31 C ATOM 436 C GLY A 25 -0.672 14.402 -1.524 1.00 65.24 C ATOM 437 O GLY A 25 -1.891 14.431 -1.365 1.00 33.40 O ATOM 0 H GLY A 25 2.125 14.956 -1.589 1.00 34.32 H new ATOM 0 HA2 GLY A 25 0.477 15.155 0.116 1.00 42.31 H new ATOM 0 HA3 GLY A 25 -0.346 16.393 -0.812 1.00 42.31 H new ATOM 441 N GLU A 26 -0.055 13.468 -2.241 1.00 30.21 N ATOM 442 CA GLU A 26 -0.796 12.397 -2.897 1.00 3.34 C ATOM 443 C GLU A 26 -0.514 11.053 -2.231 1.00 10.12 C ATOM 444 O GLU A 26 0.627 10.744 -1.886 1.00 2.41 O ATOM 445 CB GLU A 26 -0.430 12.329 -4.381 1.00 74.05 C ATOM 446 CG GLU A 26 -0.985 11.105 -5.089 1.00 54.43 C ATOM 447 CD GLU A 26 -2.450 10.866 -4.780 1.00 11.24 C ATOM 448 OE1 GLU A 26 -3.215 11.851 -4.729 1.00 14.11 O ATOM 449 OE2 GLU A 26 -2.832 9.692 -4.588 1.00 11.10 O ATOM 0 H GLU A 26 0.955 13.431 -2.382 1.00 30.21 H new ATOM 0 HA GLU A 26 -1.860 12.615 -2.801 1.00 3.34 H new ATOM 0 HB2 GLU A 26 -0.800 13.225 -4.879 1.00 74.05 H new ATOM 0 HB3 GLU A 26 0.656 12.334 -4.479 1.00 74.05 H new ATOM 0 HG2 GLU A 26 -0.859 11.224 -6.165 1.00 54.43 H new ATOM 0 HG3 GLU A 26 -0.408 10.228 -4.796 1.00 54.43 H new ATOM 456 N LYS A 27 -1.563 10.257 -2.052 1.00 54.15 N ATOM 457 CA LYS A 27 -1.432 8.946 -1.429 1.00 24.32 C ATOM 458 C LYS A 27 -0.308 8.144 -2.079 1.00 20.05 C ATOM 459 O LYS A 27 -0.086 8.233 -3.287 1.00 64.14 O ATOM 460 CB LYS A 27 -2.749 8.174 -1.532 1.00 62.31 C ATOM 461 CG LYS A 27 -2.628 6.709 -1.148 1.00 40.25 C ATOM 462 CD LYS A 27 -3.934 6.170 -0.588 1.00 24.14 C ATOM 463 CE LYS A 27 -4.999 6.060 -1.666 1.00 54.12 C ATOM 464 NZ LYS A 27 -4.660 5.021 -2.678 1.00 10.21 N ATOM 0 H LYS A 27 -2.514 10.498 -2.330 1.00 54.15 H new ATOM 0 HA LYS A 27 -1.187 9.095 -0.377 1.00 24.32 H new ATOM 0 HB2 LYS A 27 -3.490 8.649 -0.889 1.00 62.31 H new ATOM 0 HB3 LYS A 27 -3.122 8.243 -2.554 1.00 62.31 H new ATOM 0 HG2 LYS A 27 -2.337 6.126 -2.022 1.00 40.25 H new ATOM 0 HG3 LYS A 27 -1.837 6.590 -0.408 1.00 40.25 H new ATOM 0 HD2 LYS A 27 -3.763 5.190 -0.143 1.00 24.14 H new ATOM 0 HD3 LYS A 27 -4.287 6.825 0.208 1.00 24.14 H new ATOM 0 HE2 LYS A 27 -5.958 5.820 -1.206 1.00 54.12 H new ATOM 0 HE3 LYS A 27 -5.116 7.024 -2.161 1.00 54.12 H new ATOM 0 HZ1 LYS A 27 -5.505 4.796 -3.241 1.00 10.21 H new ATOM 0 HZ2 LYS A 27 -3.911 5.378 -3.305 1.00 10.21 H new ATOM 0 HZ3 LYS A 27 -4.327 4.162 -2.195 1.00 10.21 H new ATOM 478 N THR A 28 0.397 7.358 -1.270 1.00 62.14 N ATOM 479 CA THR A 28 1.496 6.541 -1.768 1.00 5.25 C ATOM 480 C THR A 28 1.021 5.138 -2.125 1.00 11.25 C ATOM 481 O THR A 28 -0.028 4.689 -1.658 1.00 24.52 O ATOM 482 CB THR A 28 2.632 6.437 -0.733 1.00 3.54 C ATOM 483 OG1 THR A 28 2.088 6.427 0.592 1.00 2.12 O ATOM 484 CG2 THR A 28 3.604 7.598 -0.878 1.00 5.33 C ATOM 0 H THR A 28 0.226 7.271 -0.268 1.00 62.14 H new ATOM 0 HA THR A 28 1.874 7.033 -2.664 1.00 5.25 H new ATOM 0 HB THR A 28 3.172 5.507 -0.911 1.00 3.54 H new ATOM 0 HG1 THR A 28 2.785 6.678 1.234 1.00 2.12 H new ATOM 0 HG21 THR A 28 4.397 7.503 -0.137 1.00 5.33 H new ATOM 0 HG22 THR A 28 4.038 7.586 -1.878 1.00 5.33 H new ATOM 0 HG23 THR A 28 3.074 8.538 -0.724 1.00 5.33 H new ATOM 492 N VAL A 29 1.796 4.448 -2.954 1.00 13.13 N ATOM 493 CA VAL A 29 1.454 3.093 -3.372 1.00 20.41 C ATOM 494 C VAL A 29 2.677 2.184 -3.345 1.00 64.41 C ATOM 495 O VAL A 29 3.811 2.649 -3.470 1.00 21.31 O ATOM 496 CB VAL A 29 0.849 3.079 -4.789 1.00 30.25 C ATOM 497 CG1 VAL A 29 -0.339 4.026 -4.871 1.00 65.54 C ATOM 498 CG2 VAL A 29 1.905 3.442 -5.822 1.00 13.53 C ATOM 0 H VAL A 29 2.666 4.804 -3.350 1.00 13.13 H new ATOM 0 HA VAL A 29 0.713 2.721 -2.664 1.00 20.41 H new ATOM 0 HB VAL A 29 0.495 2.071 -5.005 1.00 30.25 H new ATOM 0 HG11 VAL A 29 -0.754 4.003 -5.879 1.00 65.54 H new ATOM 0 HG12 VAL A 29 -1.102 3.715 -4.158 1.00 65.54 H new ATOM 0 HG13 VAL A 29 -0.014 5.039 -4.635 1.00 65.54 H new ATOM 0 HG21 VAL A 29 1.461 3.427 -6.817 1.00 13.53 H new ATOM 0 HG22 VAL A 29 2.292 4.439 -5.612 1.00 13.53 H new ATOM 0 HG23 VAL A 29 2.720 2.720 -5.778 1.00 13.53 H new ATOM 508 N ILE A 30 2.441 0.887 -3.181 1.00 14.11 N ATOM 509 CA ILE A 30 3.524 -0.088 -3.139 1.00 51.31 C ATOM 510 C ILE A 30 4.263 -0.146 -4.472 1.00 0.25 C ATOM 511 O ILE A 30 3.722 -0.572 -5.492 1.00 13.11 O ATOM 512 CB ILE A 30 3.002 -1.494 -2.793 1.00 21.42 C ATOM 513 CG1 ILE A 30 2.089 -1.436 -1.567 1.00 12.14 C ATOM 514 CG2 ILE A 30 4.164 -2.445 -2.549 1.00 1.15 C ATOM 515 CD1 ILE A 30 2.752 -0.835 -0.347 1.00 41.11 C ATOM 0 H ILE A 30 1.509 0.487 -3.075 1.00 14.11 H new ATOM 0 HA ILE A 30 4.212 0.237 -2.359 1.00 51.31 H new ATOM 0 HB ILE A 30 2.422 -1.868 -3.637 1.00 21.42 H new ATOM 0 HG12 ILE A 30 1.201 -0.853 -1.812 1.00 12.14 H new ATOM 0 HG13 ILE A 30 1.752 -2.444 -1.327 1.00 12.14 H new ATOM 0 HG21 ILE A 30 3.779 -3.435 -2.305 1.00 1.15 H new ATOM 0 HG22 ILE A 30 4.779 -2.506 -3.447 1.00 1.15 H new ATOM 0 HG23 ILE A 30 4.768 -2.076 -1.720 1.00 1.15 H new ATOM 0 HD11 ILE A 30 2.046 -0.826 0.483 1.00 41.11 H new ATOM 0 HD12 ILE A 30 3.624 -1.431 -0.076 1.00 41.11 H new ATOM 0 HD13 ILE A 30 3.065 0.185 -0.568 1.00 41.11 H new ATOM 527 N PRO A 31 5.531 0.292 -4.464 1.00 73.24 N ATOM 528 CA PRO A 31 6.373 0.298 -5.664 1.00 74.44 C ATOM 529 C PRO A 31 6.758 -1.109 -6.109 1.00 71.21 C ATOM 530 O PRO A 31 6.649 -1.451 -7.287 1.00 31.50 O ATOM 531 CB PRO A 31 7.615 1.076 -5.223 1.00 1.40 C ATOM 532 CG PRO A 31 7.669 0.896 -3.745 1.00 40.42 C ATOM 533 CD PRO A 31 6.240 0.814 -3.285 1.00 13.23 C ATOM 0 HA PRO A 31 5.859 0.737 -6.519 1.00 74.44 H new ATOM 0 HB2 PRO A 31 8.515 0.690 -5.702 1.00 1.40 H new ATOM 0 HB3 PRO A 31 7.538 2.130 -5.491 1.00 1.40 H new ATOM 0 HG2 PRO A 31 8.216 -0.009 -3.482 1.00 40.42 H new ATOM 0 HG3 PRO A 31 8.185 1.730 -3.269 1.00 40.42 H new ATOM 0 HD2 PRO A 31 6.132 0.152 -2.426 1.00 13.23 H new ATOM 0 HD3 PRO A 31 5.858 1.790 -2.986 1.00 13.23 H new ATOM 541 N LYS A 32 7.208 -1.922 -5.160 1.00 34.14 N ATOM 542 CA LYS A 32 7.608 -3.294 -5.453 1.00 13.54 C ATOM 543 C LYS A 32 6.449 -4.082 -6.057 1.00 1.24 C ATOM 544 O LYS A 32 5.277 -3.784 -5.824 1.00 13.01 O ATOM 545 CB LYS A 32 8.100 -3.987 -4.180 1.00 3.00 C ATOM 546 CG LYS A 32 6.995 -4.278 -3.180 1.00 31.23 C ATOM 547 CD LYS A 32 7.240 -3.571 -1.857 1.00 33.05 C ATOM 548 CE LYS A 32 8.344 -4.250 -1.059 1.00 1.52 C ATOM 549 NZ LYS A 32 9.294 -3.263 -0.477 1.00 41.34 N ATOM 0 H LYS A 32 7.305 -1.655 -4.180 1.00 34.14 H new ATOM 0 HA LYS A 32 8.420 -3.261 -6.179 1.00 13.54 H new ATOM 0 HB2 LYS A 32 8.588 -4.923 -4.451 1.00 3.00 H new ATOM 0 HB3 LYS A 32 8.854 -3.360 -3.704 1.00 3.00 H new ATOM 0 HG2 LYS A 32 6.037 -3.960 -3.592 1.00 31.23 H new ATOM 0 HG3 LYS A 32 6.929 -5.353 -3.012 1.00 31.23 H new ATOM 0 HD2 LYS A 32 7.510 -2.532 -2.043 1.00 33.05 H new ATOM 0 HD3 LYS A 32 6.320 -3.561 -1.272 1.00 33.05 H new ATOM 0 HE2 LYS A 32 7.901 -4.844 -0.259 1.00 1.52 H new ATOM 0 HE3 LYS A 32 8.887 -4.940 -1.705 1.00 1.52 H new ATOM 0 HZ1 LYS A 32 10.031 -3.765 0.059 1.00 41.34 H new ATOM 0 HZ2 LYS A 32 9.735 -2.714 -1.242 1.00 41.34 H new ATOM 0 HZ3 LYS A 32 8.780 -2.620 0.159 1.00 41.34 H new ATOM 563 N PRO A 33 6.781 -5.111 -6.850 1.00 40.32 N ATOM 564 CA PRO A 33 5.782 -5.962 -7.502 1.00 33.54 C ATOM 565 C PRO A 33 5.034 -6.845 -6.506 1.00 42.54 C ATOM 566 O PRO A 33 5.420 -6.976 -5.345 1.00 44.13 O ATOM 567 CB PRO A 33 6.616 -6.822 -8.455 1.00 13.41 C ATOM 568 CG PRO A 33 7.975 -6.853 -7.846 1.00 33.20 C ATOM 569 CD PRO A 33 8.158 -5.522 -7.172 1.00 31.32 C ATOM 0 HA PRO A 33 5.010 -5.376 -8.000 1.00 33.54 H new ATOM 0 HB2 PRO A 33 6.201 -7.826 -8.548 1.00 13.41 H new ATOM 0 HB3 PRO A 33 6.641 -6.393 -9.457 1.00 13.41 H new ATOM 0 HG2 PRO A 33 8.062 -7.669 -7.128 1.00 33.20 H new ATOM 0 HG3 PRO A 33 8.740 -7.014 -8.606 1.00 33.20 H new ATOM 0 HD2 PRO A 33 8.772 -5.607 -6.276 1.00 31.32 H new ATOM 0 HD3 PRO A 33 8.649 -4.803 -7.828 1.00 31.32 H new ATOM 577 N PRO A 34 3.938 -7.463 -6.970 1.00 74.15 N ATOM 578 CA PRO A 34 3.114 -8.343 -6.137 1.00 25.44 C ATOM 579 C PRO A 34 3.825 -9.648 -5.793 1.00 33.11 C ATOM 580 O PRO A 34 4.995 -9.837 -6.126 1.00 23.21 O ATOM 581 CB PRO A 34 1.890 -8.617 -7.013 1.00 13.23 C ATOM 582 CG PRO A 34 2.372 -8.429 -8.409 1.00 64.11 C ATOM 583 CD PRO A 34 3.419 -7.352 -8.344 1.00 3.31 C ATOM 0 HA PRO A 34 2.874 -7.887 -5.176 1.00 25.44 H new ATOM 0 HB2 PRO A 34 1.511 -9.627 -6.858 1.00 13.23 H new ATOM 0 HB3 PRO A 34 1.075 -7.931 -6.780 1.00 13.23 H new ATOM 0 HG2 PRO A 34 2.789 -9.355 -8.806 1.00 64.11 H new ATOM 0 HG3 PRO A 34 1.554 -8.139 -9.069 1.00 64.11 H new ATOM 0 HD2 PRO A 34 4.204 -7.509 -9.084 1.00 3.31 H new ATOM 0 HD3 PRO A 34 2.994 -6.366 -8.535 1.00 3.31 H new ATOM 591 N LYS A 35 3.110 -10.547 -5.124 1.00 62.23 N ATOM 592 CA LYS A 35 3.671 -11.835 -4.736 1.00 33.51 C ATOM 593 C LYS A 35 3.249 -12.929 -5.711 1.00 31.01 C ATOM 594 O LYS A 35 3.920 -13.953 -5.841 1.00 13.32 O ATOM 595 CB LYS A 35 3.227 -12.202 -3.319 1.00 11.54 C ATOM 596 CG LYS A 35 3.498 -11.113 -2.294 1.00 44.24 C ATOM 597 CD LYS A 35 2.248 -10.302 -1.999 1.00 14.24 C ATOM 598 CE LYS A 35 2.583 -8.851 -1.691 1.00 64.21 C ATOM 599 NZ LYS A 35 2.827 -8.633 -0.239 1.00 34.45 N ATOM 0 H LYS A 35 2.141 -10.407 -4.840 1.00 62.23 H new ATOM 0 HA LYS A 35 4.757 -11.751 -4.760 1.00 33.51 H new ATOM 0 HB2 LYS A 35 2.160 -12.423 -3.328 1.00 11.54 H new ATOM 0 HB3 LYS A 35 3.739 -13.114 -3.012 1.00 11.54 H new ATOM 0 HG2 LYS A 35 3.867 -11.563 -1.372 1.00 44.24 H new ATOM 0 HG3 LYS A 35 4.283 -10.452 -2.662 1.00 44.24 H new ATOM 0 HD2 LYS A 35 1.574 -10.347 -2.854 1.00 14.24 H new ATOM 0 HD3 LYS A 35 1.719 -10.742 -1.153 1.00 14.24 H new ATOM 0 HE2 LYS A 35 3.467 -8.555 -2.256 1.00 64.21 H new ATOM 0 HE3 LYS A 35 1.764 -8.212 -2.021 1.00 64.21 H new ATOM 0 HZ1 LYS A 35 3.052 -7.632 -0.071 1.00 34.45 H new ATOM 0 HZ2 LYS A 35 1.975 -8.891 0.299 1.00 34.45 H new ATOM 0 HZ3 LYS A 35 3.625 -9.224 0.072 1.00 34.45 H new ATOM 613 N PHE A 36 2.133 -12.705 -6.397 1.00 53.03 N ATOM 614 CA PHE A 36 1.621 -13.671 -7.361 1.00 74.22 C ATOM 615 C PHE A 36 1.717 -13.125 -8.783 1.00 70.11 C ATOM 616 O PHE A 36 1.027 -12.170 -9.140 1.00 60.14 O ATOM 617 CB PHE A 36 0.168 -14.027 -7.038 1.00 23.30 C ATOM 618 CG PHE A 36 -0.676 -12.835 -6.684 1.00 74.40 C ATOM 619 CD1 PHE A 36 -0.706 -12.353 -5.386 1.00 40.42 C ATOM 620 CD2 PHE A 36 -1.439 -12.201 -7.650 1.00 43.45 C ATOM 621 CE1 PHE A 36 -1.482 -11.258 -5.058 1.00 44.52 C ATOM 622 CE2 PHE A 36 -2.217 -11.104 -7.328 1.00 62.15 C ATOM 623 CZ PHE A 36 -2.238 -10.631 -6.030 1.00 71.50 C ATOM 0 H PHE A 36 1.566 -11.862 -6.303 1.00 53.03 H new ATOM 0 HA PHE A 36 2.232 -14.571 -7.293 1.00 74.22 H new ATOM 0 HB2 PHE A 36 -0.273 -14.533 -7.897 1.00 23.30 H new ATOM 0 HB3 PHE A 36 0.151 -14.734 -6.208 1.00 23.30 H new ATOM 0 HD1 PHE A 36 -0.117 -12.838 -4.622 1.00 40.42 H new ATOM 0 HD2 PHE A 36 -1.426 -12.567 -8.666 1.00 43.45 H new ATOM 0 HE1 PHE A 36 -1.498 -10.892 -4.042 1.00 44.52 H new ATOM 0 HE2 PHE A 36 -2.808 -10.618 -8.090 1.00 62.15 H new ATOM 0 HZ PHE A 36 -2.844 -9.774 -5.776 1.00 71.50 H new ATOM 633 N SER A 37 2.580 -13.737 -9.589 1.00 43.31 N ATOM 634 CA SER A 37 2.770 -13.310 -10.969 1.00 63.33 C ATOM 635 C SER A 37 3.613 -14.322 -11.740 1.00 40.22 C ATOM 636 O SER A 37 4.151 -15.267 -11.161 1.00 72.33 O ATOM 637 CB SER A 37 3.440 -11.934 -11.012 1.00 34.12 C ATOM 638 OG SER A 37 3.108 -11.242 -12.203 1.00 34.42 O ATOM 0 H SER A 37 3.158 -14.530 -9.309 1.00 43.31 H new ATOM 0 HA SER A 37 1.790 -13.244 -11.441 1.00 63.33 H new ATOM 0 HB2 SER A 37 3.128 -11.347 -10.148 1.00 34.12 H new ATOM 0 HB3 SER A 37 4.522 -12.051 -10.945 1.00 34.12 H new ATOM 0 HG SER A 37 3.547 -10.366 -12.205 1.00 34.42 H new ATOM 644 N LEU A 38 3.723 -14.118 -13.048 1.00 45.11 N ATOM 645 CA LEU A 38 4.500 -15.012 -13.899 1.00 44.32 C ATOM 646 C LEU A 38 5.982 -14.654 -13.855 1.00 65.51 C ATOM 647 O LEU A 38 6.843 -15.513 -14.046 1.00 44.54 O ATOM 648 CB LEU A 38 3.991 -14.945 -15.340 1.00 32.21 C ATOM 649 CG LEU A 38 2.569 -15.458 -15.575 1.00 21.44 C ATOM 650 CD1 LEU A 38 2.038 -14.969 -16.912 1.00 63.32 C ATOM 651 CD2 LEU A 38 2.534 -16.979 -15.509 1.00 22.02 C ATOM 0 H LEU A 38 3.284 -13.341 -13.542 1.00 45.11 H new ATOM 0 HA LEU A 38 4.379 -16.028 -13.523 1.00 44.32 H new ATOM 0 HB2 LEU A 38 4.042 -13.909 -15.674 1.00 32.21 H new ATOM 0 HB3 LEU A 38 4.671 -15.517 -15.971 1.00 32.21 H new ATOM 0 HG LEU A 38 1.927 -15.064 -14.787 1.00 21.44 H new ATOM 0 HD11 LEU A 38 1.026 -15.344 -17.061 1.00 63.32 H new ATOM 0 HD12 LEU A 38 2.026 -13.879 -16.922 1.00 63.32 H new ATOM 0 HD13 LEU A 38 2.681 -15.332 -17.714 1.00 63.32 H new ATOM 0 HD21 LEU A 38 1.515 -17.327 -15.678 1.00 22.02 H new ATOM 0 HD22 LEU A 38 3.190 -17.392 -16.275 1.00 22.02 H new ATOM 0 HD23 LEU A 38 2.871 -17.308 -14.526 1.00 22.02 H new ATOM 663 N GLU A 39 6.272 -13.382 -13.599 1.00 35.42 N ATOM 664 CA GLU A 39 7.651 -12.913 -13.527 1.00 70.33 C ATOM 665 C GLU A 39 8.406 -13.613 -12.401 1.00 4.32 C ATOM 666 O GLU A 39 9.634 -13.695 -12.420 1.00 62.14 O ATOM 667 CB GLU A 39 7.687 -11.398 -13.316 1.00 51.13 C ATOM 668 CG GLU A 39 7.484 -10.600 -14.594 1.00 73.31 C ATOM 669 CD GLU A 39 8.717 -10.591 -15.477 1.00 63.12 C ATOM 670 OE1 GLU A 39 9.571 -11.488 -15.314 1.00 11.54 O ATOM 671 OE2 GLU A 39 8.828 -9.686 -16.332 1.00 21.44 O ATOM 0 H GLU A 39 5.571 -12.659 -13.438 1.00 35.42 H new ATOM 0 HA GLU A 39 8.139 -13.153 -14.472 1.00 70.33 H new ATOM 0 HB2 GLU A 39 6.915 -11.121 -12.598 1.00 51.13 H new ATOM 0 HB3 GLU A 39 8.645 -11.124 -12.875 1.00 51.13 H new ATOM 0 HG2 GLU A 39 6.646 -11.019 -15.151 1.00 73.31 H new ATOM 0 HG3 GLU A 39 7.216 -9.575 -14.339 1.00 73.31 H new ATOM 678 N ASP A 40 7.663 -14.114 -11.421 1.00 14.21 N ATOM 679 CA ASP A 40 8.261 -14.807 -10.285 1.00 15.21 C ATOM 680 C ASP A 40 9.210 -15.904 -10.756 1.00 53.05 C ATOM 681 O ASP A 40 9.146 -16.343 -11.906 1.00 14.51 O ATOM 682 CB ASP A 40 7.171 -15.406 -9.395 1.00 3.42 C ATOM 683 CG ASP A 40 6.489 -14.361 -8.533 1.00 22.34 C ATOM 684 OD1 ASP A 40 5.505 -13.755 -9.002 1.00 51.41 O ATOM 685 OD2 ASP A 40 6.941 -14.151 -7.388 1.00 12.14 O ATOM 0 H ASP A 40 6.645 -14.054 -11.390 1.00 14.21 H new ATOM 0 HA ASP A 40 8.833 -14.080 -9.707 1.00 15.21 H new ATOM 0 HB2 ASP A 40 6.427 -15.900 -10.020 1.00 3.42 H new ATOM 0 HB3 ASP A 40 7.609 -16.172 -8.755 1.00 3.42 H new ATOM 690 N ARG A 41 10.090 -16.342 -9.864 1.00 31.05 N ATOM 691 CA ARG A 41 11.054 -17.387 -10.189 1.00 14.35 C ATOM 692 C ARG A 41 10.355 -18.605 -10.785 1.00 62.14 C ATOM 693 O ARG A 41 10.466 -18.872 -11.982 1.00 52.03 O ATOM 694 CB ARG A 41 11.837 -17.796 -8.939 1.00 52.40 C ATOM 695 CG ARG A 41 12.714 -19.020 -9.143 1.00 54.15 C ATOM 696 CD ARG A 41 13.801 -18.760 -10.175 1.00 52.14 C ATOM 697 NE ARG A 41 13.365 -19.098 -11.527 1.00 33.22 N ATOM 698 CZ ARG A 41 14.019 -18.731 -12.624 1.00 25.10 C ATOM 699 NH1 ARG A 41 15.133 -18.019 -12.527 1.00 64.34 N ATOM 700 NH2 ARG A 41 13.559 -19.078 -13.819 1.00 24.03 N ATOM 0 H ARG A 41 10.156 -15.990 -8.909 1.00 31.05 H new ATOM 0 HA ARG A 41 11.748 -16.989 -10.930 1.00 14.35 H new ATOM 0 HB2 ARG A 41 12.462 -16.961 -8.622 1.00 52.40 H new ATOM 0 HB3 ARG A 41 11.135 -17.994 -8.129 1.00 52.40 H new ATOM 0 HG2 ARG A 41 13.171 -19.304 -8.195 1.00 54.15 H new ATOM 0 HG3 ARG A 41 12.099 -19.860 -9.465 1.00 54.15 H new ATOM 0 HD2 ARG A 41 14.091 -17.710 -10.140 1.00 52.14 H new ATOM 0 HD3 ARG A 41 14.687 -19.343 -9.923 1.00 52.14 H new ATOM 0 HE ARG A 41 12.512 -19.646 -11.635 1.00 33.22 H new ATOM 0 HH11 ARG A 41 15.489 -17.752 -11.609 1.00 64.34 H new ATOM 0 HH12 ARG A 41 15.634 -17.738 -13.370 1.00 64.34 H new ATOM 0 HH21 ARG A 41 12.703 -19.627 -13.896 1.00 24.03 H new ATOM 0 HH22 ARG A 41 14.062 -18.796 -14.661 1.00 24.03 H new ATOM 714 N TRP A 42 9.637 -19.340 -9.944 1.00 54.40 N ATOM 715 CA TRP A 42 8.920 -20.529 -10.388 1.00 70.32 C ATOM 716 C TRP A 42 7.472 -20.198 -10.728 1.00 52.54 C ATOM 717 O TRP A 42 6.830 -20.901 -11.508 1.00 11.32 O ATOM 718 CB TRP A 42 8.969 -21.612 -9.310 1.00 22.14 C ATOM 719 CG TRP A 42 10.225 -22.430 -9.344 1.00 43.11 C ATOM 720 CD1 TRP A 42 10.717 -23.132 -10.406 1.00 43.34 C ATOM 721 CD2 TRP A 42 11.146 -22.631 -8.267 1.00 10.54 C ATOM 722 NE1 TRP A 42 11.889 -23.757 -10.055 1.00 62.31 N ATOM 723 CE2 TRP A 42 12.174 -23.465 -8.747 1.00 41.44 C ATOM 724 CE3 TRP A 42 11.204 -22.186 -6.943 1.00 31.01 C ATOM 725 CZ2 TRP A 42 13.244 -23.862 -7.951 1.00 11.23 C ATOM 726 CZ3 TRP A 42 12.266 -22.581 -6.153 1.00 23.41 C ATOM 727 CH2 TRP A 42 13.275 -23.412 -6.659 1.00 23.21 C ATOM 0 H TRP A 42 9.536 -19.133 -8.950 1.00 54.40 H new ATOM 0 HA TRP A 42 9.408 -20.901 -11.289 1.00 70.32 H new ATOM 0 HB2 TRP A 42 8.876 -21.143 -8.330 1.00 22.14 H new ATOM 0 HB3 TRP A 42 8.111 -22.273 -9.430 1.00 22.14 H new ATOM 0 HD1 TRP A 42 10.253 -23.188 -11.380 1.00 43.34 H new ATOM 0 HE1 TRP A 42 12.455 -24.343 -10.668 1.00 62.31 H new ATOM 0 HE3 TRP A 42 10.432 -21.544 -6.545 1.00 31.01 H new ATOM 0 HZ2 TRP A 42 14.022 -24.502 -8.339 1.00 11.23 H new ATOM 0 HZ3 TRP A 42 12.320 -22.244 -5.128 1.00 23.41 H new ATOM 0 HH2 TRP A 42 14.093 -23.703 -6.017 1.00 23.21 H new ATOM 738 N GLY A 43 6.961 -19.121 -10.138 1.00 63.20 N ATOM 739 CA GLY A 43 5.591 -18.715 -10.391 1.00 50.11 C ATOM 740 C GLY A 43 4.582 -19.678 -9.799 1.00 34.51 C ATOM 741 O GLY A 43 4.097 -19.475 -8.686 1.00 0.20 O ATOM 0 H GLY A 43 7.472 -18.522 -9.489 1.00 63.20 H new ATOM 0 HA2 GLY A 43 5.427 -17.721 -9.975 1.00 50.11 H new ATOM 0 HA3 GLY A 43 5.430 -18.641 -11.467 1.00 50.11 H new ATOM 745 N LYS A 44 4.263 -20.731 -10.545 1.00 31.13 N ATOM 746 CA LYS A 44 3.304 -21.731 -10.088 1.00 1.12 C ATOM 747 C LYS A 44 3.669 -22.238 -8.697 1.00 73.41 C ATOM 748 O LYS A 44 2.796 -22.618 -7.915 1.00 50.13 O ATOM 749 CB LYS A 44 3.250 -22.902 -11.072 1.00 10.14 C ATOM 750 CG LYS A 44 4.530 -23.718 -11.118 1.00 3.32 C ATOM 751 CD LYS A 44 4.508 -24.726 -12.255 1.00 44.11 C ATOM 752 CE LYS A 44 3.719 -25.971 -11.880 1.00 71.32 C ATOM 753 NZ LYS A 44 4.427 -26.790 -10.857 1.00 62.31 N ATOM 0 H LYS A 44 4.655 -20.914 -11.469 1.00 31.13 H new ATOM 0 HA LYS A 44 2.322 -21.261 -10.038 1.00 1.12 H new ATOM 0 HB2 LYS A 44 2.422 -23.556 -10.800 1.00 10.14 H new ATOM 0 HB3 LYS A 44 3.038 -22.518 -12.070 1.00 10.14 H new ATOM 0 HG2 LYS A 44 5.384 -23.051 -11.238 1.00 3.32 H new ATOM 0 HG3 LYS A 44 4.664 -24.240 -10.170 1.00 3.32 H new ATOM 0 HD2 LYS A 44 4.068 -24.268 -13.141 1.00 44.11 H new ATOM 0 HD3 LYS A 44 5.529 -25.005 -12.515 1.00 44.11 H new ATOM 0 HE2 LYS A 44 2.741 -25.679 -11.498 1.00 71.32 H new ATOM 0 HE3 LYS A 44 3.546 -26.574 -12.772 1.00 71.32 H new ATOM 0 HZ1 LYS A 44 4.032 -27.752 -10.848 1.00 62.31 H new ATOM 0 HZ2 LYS A 44 5.440 -26.834 -11.088 1.00 62.31 H new ATOM 0 HZ3 LYS A 44 4.304 -26.357 -9.920 1.00 62.31 H new ATOM 767 N TYR A 45 4.962 -22.241 -8.393 1.00 31.22 N ATOM 768 CA TYR A 45 5.442 -22.704 -7.096 1.00 44.31 C ATOM 769 C TYR A 45 4.748 -21.957 -5.962 1.00 4.03 C ATOM 770 O TYR A 45 4.609 -22.478 -4.854 1.00 43.52 O ATOM 771 CB TYR A 45 6.957 -22.518 -6.993 1.00 50.13 C ATOM 772 CG TYR A 45 7.518 -22.862 -5.632 1.00 34.41 C ATOM 773 CD1 TYR A 45 7.643 -24.186 -5.226 1.00 42.03 C ATOM 774 CD2 TYR A 45 7.923 -21.867 -4.752 1.00 52.44 C ATOM 775 CE1 TYR A 45 8.155 -24.506 -3.984 1.00 20.45 C ATOM 776 CE2 TYR A 45 8.437 -22.178 -3.509 1.00 12.13 C ATOM 777 CZ TYR A 45 8.551 -23.499 -3.128 1.00 72.24 C ATOM 778 OH TYR A 45 9.061 -23.814 -1.890 1.00 3.01 O ATOM 0 H TYR A 45 5.697 -21.928 -9.027 1.00 31.22 H new ATOM 0 HA TYR A 45 5.207 -23.765 -7.007 1.00 44.31 H new ATOM 0 HB2 TYR A 45 7.443 -23.140 -7.745 1.00 50.13 H new ATOM 0 HB3 TYR A 45 7.204 -21.483 -7.228 1.00 50.13 H new ATOM 0 HD1 TYR A 45 7.335 -24.977 -5.893 1.00 42.03 H new ATOM 0 HD2 TYR A 45 7.834 -20.831 -5.045 1.00 52.44 H new ATOM 0 HE1 TYR A 45 8.245 -25.540 -3.684 1.00 20.45 H new ATOM 0 HE2 TYR A 45 8.748 -21.391 -2.838 1.00 12.13 H new ATOM 0 HH TYR A 45 9.292 -22.990 -1.412 1.00 3.01 H new ATOM 788 N ARG A 46 4.314 -20.733 -6.245 1.00 31.31 N ATOM 789 CA ARG A 46 3.636 -19.912 -5.249 1.00 34.22 C ATOM 790 C ARG A 46 2.479 -20.677 -4.612 1.00 31.52 C ATOM 791 O ARG A 46 2.171 -20.489 -3.435 1.00 63.32 O ATOM 792 CB ARG A 46 3.117 -18.623 -5.888 1.00 4.43 C ATOM 793 CG ARG A 46 1.953 -18.840 -6.841 1.00 43.41 C ATOM 794 CD ARG A 46 0.620 -18.559 -6.166 1.00 43.22 C ATOM 795 NE ARG A 46 -0.419 -18.210 -7.131 1.00 3.33 N ATOM 796 CZ ARG A 46 -1.642 -17.823 -6.785 1.00 62.02 C ATOM 797 NH1 ARG A 46 -1.977 -17.736 -5.506 1.00 10.14 N ATOM 798 NH2 ARG A 46 -2.533 -17.521 -7.721 1.00 41.11 N ATOM 0 H ARG A 46 4.420 -20.288 -7.157 1.00 31.31 H new ATOM 0 HA ARG A 46 4.356 -19.660 -4.471 1.00 34.22 H new ATOM 0 HB2 ARG A 46 2.807 -17.936 -5.100 1.00 4.43 H new ATOM 0 HB3 ARG A 46 3.932 -18.142 -6.428 1.00 4.43 H new ATOM 0 HG2 ARG A 46 2.066 -18.191 -7.709 1.00 43.41 H new ATOM 0 HG3 ARG A 46 1.967 -19.867 -7.207 1.00 43.41 H new ATOM 0 HD2 ARG A 46 0.308 -19.436 -5.599 1.00 43.22 H new ATOM 0 HD3 ARG A 46 0.740 -17.744 -5.452 1.00 43.22 H new ATOM 0 HE ARG A 46 -0.194 -18.266 -8.124 1.00 3.33 H new ATOM 0 HH11 ARG A 46 -1.295 -17.966 -4.783 1.00 10.14 H new ATOM 0 HH12 ARG A 46 -2.917 -17.439 -5.244 1.00 10.14 H new ATOM 0 HH21 ARG A 46 -2.279 -17.586 -8.707 1.00 41.11 H new ATOM 0 HH22 ARG A 46 -3.472 -17.224 -7.455 1.00 41.11 H new ATOM 812 N ARG A 47 1.843 -21.541 -5.398 1.00 14.45 N ATOM 813 CA ARG A 47 0.719 -22.333 -4.910 1.00 24.21 C ATOM 814 C ARG A 47 1.126 -23.161 -3.695 1.00 72.13 C ATOM 815 O ARG A 47 0.323 -23.389 -2.791 1.00 34.31 O ATOM 816 CB ARG A 47 0.198 -23.251 -6.016 1.00 72.14 C ATOM 817 CG ARG A 47 -0.906 -22.629 -6.855 1.00 75.20 C ATOM 818 CD ARG A 47 -2.254 -22.720 -6.157 1.00 54.04 C ATOM 819 NE ARG A 47 -3.362 -22.450 -7.070 1.00 22.20 N ATOM 820 CZ ARG A 47 -4.637 -22.653 -6.757 1.00 41.02 C ATOM 821 NH1 ARG A 47 -4.963 -23.124 -5.562 1.00 3.22 N ATOM 822 NH2 ARG A 47 -5.589 -22.383 -7.641 1.00 72.54 N ATOM 0 H ARG A 47 2.086 -21.710 -6.374 1.00 14.45 H new ATOM 0 HA ARG A 47 -0.075 -21.648 -4.612 1.00 24.21 H new ATOM 0 HB2 ARG A 47 1.027 -23.526 -6.668 1.00 72.14 H new ATOM 0 HB3 ARG A 47 -0.174 -24.172 -5.567 1.00 72.14 H new ATOM 0 HG2 ARG A 47 -0.668 -21.584 -7.055 1.00 75.20 H new ATOM 0 HG3 ARG A 47 -0.960 -23.134 -7.820 1.00 75.20 H new ATOM 0 HD2 ARG A 47 -2.373 -23.714 -5.726 1.00 54.04 H new ATOM 0 HD3 ARG A 47 -2.283 -22.009 -5.331 1.00 54.04 H new ATOM 0 HE ARG A 47 -3.145 -22.086 -7.998 1.00 22.20 H new ATOM 0 HH11 ARG A 47 -4.234 -23.332 -4.879 1.00 3.22 H new ATOM 0 HH12 ARG A 47 -5.943 -23.279 -5.325 1.00 3.22 H new ATOM 0 HH21 ARG A 47 -5.342 -22.019 -8.561 1.00 72.54 H new ATOM 0 HH22 ARG A 47 -6.568 -22.539 -7.400 1.00 72.54 H new ATOM 836 N MET A 48 2.376 -23.610 -3.682 1.00 24.31 N ATOM 837 CA MET A 48 2.889 -24.413 -2.578 1.00 33.14 C ATOM 838 C MET A 48 3.726 -23.561 -1.628 1.00 55.44 C ATOM 839 O MET A 48 4.590 -24.073 -0.916 1.00 73.24 O ATOM 840 CB MET A 48 3.728 -25.576 -3.111 1.00 13.44 C ATOM 841 CG MET A 48 2.897 -26.760 -3.578 1.00 34.11 C ATOM 842 SD MET A 48 2.335 -26.584 -5.283 1.00 31.42 S ATOM 843 CE MET A 48 0.949 -27.719 -5.300 1.00 72.11 C ATOM 0 H MET A 48 3.053 -23.432 -4.424 1.00 24.31 H new ATOM 0 HA MET A 48 2.038 -24.811 -2.026 1.00 33.14 H new ATOM 0 HB2 MET A 48 4.340 -25.222 -3.941 1.00 13.44 H new ATOM 0 HB3 MET A 48 4.412 -25.908 -2.330 1.00 13.44 H new ATOM 0 HG2 MET A 48 3.487 -27.672 -3.486 1.00 34.11 H new ATOM 0 HG3 MET A 48 2.032 -26.873 -2.924 1.00 34.11 H new ATOM 0 HE1 MET A 48 0.494 -27.723 -6.290 1.00 72.11 H new ATOM 0 HE2 MET A 48 1.298 -28.723 -5.057 1.00 72.11 H new ATOM 0 HE3 MET A 48 0.211 -27.403 -4.563 1.00 72.11 H new ATOM 853 N LEU A 49 3.462 -22.259 -1.622 1.00 71.32 N ATOM 854 CA LEU A 49 4.191 -21.336 -0.759 1.00 65.44 C ATOM 855 C LEU A 49 3.339 -20.917 0.433 1.00 10.51 C ATOM 856 O LEU A 49 3.860 -20.594 1.501 1.00 72.43 O ATOM 857 CB LEU A 49 4.623 -20.100 -1.552 1.00 40.40 C ATOM 858 CG LEU A 49 5.852 -19.359 -1.023 1.00 21.20 C ATOM 859 CD1 LEU A 49 6.566 -18.635 -2.153 1.00 44.54 C ATOM 860 CD2 LEU A 49 5.454 -18.380 0.073 1.00 31.31 C ATOM 0 H LEU A 49 2.749 -21.819 -2.204 1.00 71.32 H new ATOM 0 HA LEU A 49 5.077 -21.849 -0.385 1.00 65.44 H new ATOM 0 HB2 LEU A 49 4.821 -20.403 -2.580 1.00 40.40 H new ATOM 0 HB3 LEU A 49 3.787 -19.401 -1.581 1.00 40.40 H new ATOM 0 HG LEU A 49 6.538 -20.091 -0.597 1.00 21.20 H new ATOM 0 HD11 LEU A 49 7.438 -18.114 -1.758 1.00 44.54 H new ATOM 0 HD12 LEU A 49 6.885 -19.358 -2.904 1.00 44.54 H new ATOM 0 HD13 LEU A 49 5.888 -17.914 -2.609 1.00 44.54 H new ATOM 0 HD21 LEU A 49 6.341 -17.862 0.438 1.00 31.31 H new ATOM 0 HD22 LEU A 49 4.748 -17.653 -0.328 1.00 31.31 H new ATOM 0 HD23 LEU A 49 4.988 -18.924 0.895 1.00 31.31 H new ATOM 872 N LYS A 50 2.024 -20.925 0.246 1.00 11.30 N ATOM 873 CA LYS A 50 1.096 -20.550 1.307 1.00 43.24 C ATOM 874 C LYS A 50 1.343 -21.379 2.563 1.00 40.32 C ATOM 875 O LYS A 50 2.137 -22.319 2.552 1.00 74.24 O ATOM 876 CB LYS A 50 -0.349 -20.733 0.838 1.00 52.52 C ATOM 877 CG LYS A 50 -0.651 -22.132 0.330 1.00 0.44 C ATOM 878 CD LYS A 50 -1.923 -22.162 -0.499 1.00 53.34 C ATOM 879 CE LYS A 50 -3.139 -22.488 0.355 1.00 40.44 C ATOM 880 NZ LYS A 50 -3.757 -21.262 0.932 1.00 25.33 N ATOM 0 H LYS A 50 1.576 -21.187 -0.632 1.00 11.30 H new ATOM 0 HA LYS A 50 1.263 -19.500 1.547 1.00 43.24 H new ATOM 0 HB2 LYS A 50 -1.022 -20.502 1.664 1.00 52.52 H new ATOM 0 HB3 LYS A 50 -0.559 -20.015 0.045 1.00 52.52 H new ATOM 0 HG2 LYS A 50 0.185 -22.490 -0.271 1.00 0.44 H new ATOM 0 HG3 LYS A 50 -0.750 -22.813 1.175 1.00 0.44 H new ATOM 0 HD2 LYS A 50 -2.066 -21.196 -0.983 1.00 53.34 H new ATOM 0 HD3 LYS A 50 -1.824 -22.904 -1.291 1.00 53.34 H new ATOM 0 HE2 LYS A 50 -3.876 -23.016 -0.250 1.00 40.44 H new ATOM 0 HE3 LYS A 50 -2.847 -23.161 1.161 1.00 40.44 H new ATOM 0 HZ1 LYS A 50 -4.052 -21.450 1.911 1.00 25.33 H new ATOM 0 HZ2 LYS A 50 -3.064 -20.486 0.922 1.00 25.33 H new ATOM 0 HZ3 LYS A 50 -4.587 -20.992 0.366 1.00 25.33 H new ATOM 894 N ARG A 51 0.657 -21.023 3.645 1.00 34.31 N ATOM 895 CA ARG A 51 0.802 -21.735 4.909 1.00 34.12 C ATOM 896 C ARG A 51 -0.491 -22.457 5.278 1.00 74.31 C ATOM 897 O ARG A 51 -1.586 -21.933 5.075 1.00 15.13 O ATOM 898 CB ARG A 51 1.190 -20.763 6.024 1.00 20.45 C ATOM 899 CG ARG A 51 0.398 -19.466 6.006 1.00 30.04 C ATOM 900 CD ARG A 51 0.885 -18.500 7.075 1.00 74.42 C ATOM 901 NE ARG A 51 0.590 -18.981 8.422 1.00 33.34 N ATOM 902 CZ ARG A 51 -0.597 -18.852 9.005 1.00 23.14 C ATOM 903 NH1 ARG A 51 -1.594 -18.260 8.363 1.00 24.42 N ATOM 904 NH2 ARG A 51 -0.787 -19.316 10.234 1.00 1.12 N ATOM 0 H ARG A 51 -0.004 -20.247 3.671 1.00 34.31 H new ATOM 0 HA ARG A 51 1.592 -22.477 4.791 1.00 34.12 H new ATOM 0 HB2 ARG A 51 1.047 -21.253 6.987 1.00 20.45 H new ATOM 0 HB3 ARG A 51 2.252 -20.531 5.939 1.00 20.45 H new ATOM 0 HG2 ARG A 51 0.485 -18.999 5.025 1.00 30.04 H new ATOM 0 HG3 ARG A 51 -0.659 -19.682 6.163 1.00 30.04 H new ATOM 0 HD2 ARG A 51 1.960 -18.354 6.969 1.00 74.42 H new ATOM 0 HD3 ARG A 51 0.415 -17.528 6.926 1.00 74.42 H new ATOM 0 HE ARG A 51 1.336 -19.441 8.944 1.00 33.34 H new ATOM 0 HH11 ARG A 51 -1.451 -17.902 7.419 1.00 24.42 H new ATOM 0 HH12 ARG A 51 -2.504 -18.163 8.813 1.00 24.42 H new ATOM 0 HH21 ARG A 51 -0.022 -19.772 10.731 1.00 1.12 H new ATOM 0 HH22 ARG A 51 -1.698 -19.217 10.681 1.00 1.12 H new ATOM 918 N ALA A 52 -0.356 -23.664 5.819 1.00 64.31 N ATOM 919 CA ALA A 52 -1.512 -24.457 6.217 1.00 23.54 C ATOM 920 C ALA A 52 -1.317 -25.051 7.607 1.00 20.34 C ATOM 921 O ALA A 52 -0.317 -25.721 7.874 1.00 45.41 O ATOM 922 CB ALA A 52 -1.770 -25.559 5.201 1.00 63.51 C ATOM 0 H ALA A 52 0.543 -24.114 5.991 1.00 64.31 H new ATOM 0 HA ALA A 52 -2.380 -23.799 6.251 1.00 23.54 H new ATOM 0 HB1 ALA A 52 -2.636 -26.144 5.511 1.00 63.51 H new ATOM 0 HB2 ALA A 52 -1.962 -25.115 4.224 1.00 63.51 H new ATOM 0 HB3 ALA A 52 -0.897 -26.209 5.139 1.00 63.51 H new ATOM 928 N LEU A 53 -2.277 -24.804 8.491 1.00 35.15 N ATOM 929 CA LEU A 53 -2.211 -25.315 9.856 1.00 30.44 C ATOM 930 C LEU A 53 -3.554 -25.897 10.285 1.00 12.45 C ATOM 931 O LEU A 53 -4.591 -25.242 10.175 1.00 2.23 O ATOM 932 CB LEU A 53 -1.794 -24.202 10.819 1.00 53.23 C ATOM 933 CG LEU A 53 -2.063 -24.460 12.302 1.00 34.41 C ATOM 934 CD1 LEU A 53 -0.901 -23.965 13.149 1.00 30.12 C ATOM 935 CD2 LEU A 53 -3.362 -23.796 12.733 1.00 63.14 C ATOM 0 H LEU A 53 -3.111 -24.253 8.287 1.00 35.15 H new ATOM 0 HA LEU A 53 -1.466 -26.110 9.884 1.00 30.44 H new ATOM 0 HB2 LEU A 53 -0.727 -24.019 10.691 1.00 53.23 H new ATOM 0 HB3 LEU A 53 -2.311 -23.287 10.531 1.00 53.23 H new ATOM 0 HG LEU A 53 -2.162 -25.535 12.452 1.00 34.41 H new ATOM 0 HD11 LEU A 53 -1.110 -24.157 14.201 1.00 30.12 H new ATOM 0 HD12 LEU A 53 0.010 -24.489 12.859 1.00 30.12 H new ATOM 0 HD13 LEU A 53 -0.769 -22.894 12.995 1.00 30.12 H new ATOM 0 HD21 LEU A 53 -3.536 -23.991 13.791 1.00 63.14 H new ATOM 0 HD22 LEU A 53 -3.293 -22.721 12.568 1.00 63.14 H new ATOM 0 HD23 LEU A 53 -4.189 -24.200 12.149 1.00 63.14 H new ATOM 947 N LYS A 54 -3.528 -27.131 10.776 1.00 33.34 N ATOM 948 CA LYS A 54 -4.742 -27.803 11.227 1.00 41.31 C ATOM 949 C LYS A 54 -4.461 -28.679 12.442 1.00 30.31 C ATOM 950 O LYS A 54 -3.840 -29.735 12.326 1.00 31.43 O ATOM 951 CB LYS A 54 -5.329 -28.651 10.096 1.00 21.44 C ATOM 952 CG LYS A 54 -6.834 -28.830 10.189 1.00 52.41 C ATOM 953 CD LYS A 54 -7.574 -27.666 9.551 1.00 20.11 C ATOM 954 CE LYS A 54 -7.575 -27.771 8.034 1.00 51.22 C ATOM 955 NZ LYS A 54 -8.722 -28.579 7.534 1.00 71.23 N ATOM 0 H LYS A 54 -2.679 -27.687 10.872 1.00 33.34 H new ATOM 0 HA LYS A 54 -5.465 -27.039 11.514 1.00 41.31 H new ATOM 0 HB2 LYS A 54 -5.085 -28.186 9.141 1.00 21.44 H new ATOM 0 HB3 LYS A 54 -4.854 -29.632 10.104 1.00 21.44 H new ATOM 0 HG2 LYS A 54 -7.122 -29.759 9.697 1.00 52.41 H new ATOM 0 HG3 LYS A 54 -7.127 -28.919 11.235 1.00 52.41 H new ATOM 0 HD2 LYS A 54 -8.601 -27.642 9.916 1.00 20.11 H new ATOM 0 HD3 LYS A 54 -7.107 -26.728 9.852 1.00 20.11 H new ATOM 0 HE2 LYS A 54 -7.619 -26.772 7.601 1.00 51.22 H new ATOM 0 HE3 LYS A 54 -6.640 -28.222 7.701 1.00 51.22 H new ATOM 0 HZ1 LYS A 54 -8.687 -28.627 6.496 1.00 71.23 H new ATOM 0 HZ2 LYS A 54 -8.667 -29.540 7.927 1.00 71.23 H new ATOM 0 HZ3 LYS A 54 -9.615 -28.135 7.830 1.00 71.23 H new ATOM 969 N ASN A 55 -4.922 -28.235 13.606 1.00 21.13 N ATOM 970 CA ASN A 55 -4.720 -28.981 14.844 1.00 72.31 C ATOM 971 C ASN A 55 -3.233 -29.123 15.158 1.00 51.35 C ATOM 972 O ASN A 55 -2.786 -30.163 15.639 1.00 22.40 O ATOM 973 CB ASN A 55 -5.365 -30.365 14.740 1.00 24.32 C ATOM 974 CG ASN A 55 -5.661 -30.968 16.099 1.00 11.45 C ATOM 975 OD1 ASN A 55 -5.232 -32.080 16.405 1.00 63.31 O ATOM 976 ND2 ASN A 55 -6.399 -30.233 16.924 1.00 73.01 N ATOM 0 H ASN A 55 -5.438 -27.362 13.719 1.00 21.13 H new ATOM 0 HA ASN A 55 -5.193 -28.426 15.655 1.00 72.31 H new ATOM 0 HB2 ASN A 55 -6.291 -30.290 14.170 1.00 24.32 H new ATOM 0 HB3 ASN A 55 -4.703 -31.031 14.186 1.00 24.32 H new ATOM 0 HD21 ASN A 55 -6.631 -30.586 17.853 1.00 73.01 H new ATOM 0 HD22 ASN A 55 -6.734 -29.316 16.629 1.00 73.01 H new ATOM 983 N LYS A 56 -2.474 -28.068 14.881 1.00 33.51 N ATOM 984 CA LYS A 56 -1.038 -28.072 15.134 1.00 32.23 C ATOM 985 C LYS A 56 -0.742 -27.740 16.594 1.00 1.10 C ATOM 986 O LYS A 56 0.336 -28.043 17.103 1.00 33.12 O ATOM 987 CB LYS A 56 -0.335 -27.067 14.219 1.00 3.31 C ATOM 988 CG LYS A 56 0.999 -27.560 13.685 1.00 62.30 C ATOM 989 CD LYS A 56 2.147 -27.158 14.596 1.00 33.31 C ATOM 990 CE LYS A 56 2.844 -25.903 14.094 1.00 12.50 C ATOM 991 NZ LYS A 56 3.718 -25.300 15.138 1.00 63.13 N ATOM 0 H LYS A 56 -2.829 -27.199 14.481 1.00 33.51 H new ATOM 0 HA LYS A 56 -0.660 -29.072 14.923 1.00 32.23 H new ATOM 0 HB2 LYS A 56 -0.989 -26.834 13.379 1.00 3.31 H new ATOM 0 HB3 LYS A 56 -0.177 -26.138 14.767 1.00 3.31 H new ATOM 0 HG2 LYS A 56 0.974 -28.645 13.587 1.00 62.30 H new ATOM 0 HG3 LYS A 56 1.165 -27.153 12.687 1.00 62.30 H new ATOM 0 HD2 LYS A 56 1.770 -26.987 15.604 1.00 33.31 H new ATOM 0 HD3 LYS A 56 2.866 -27.975 14.659 1.00 33.31 H new ATOM 0 HE2 LYS A 56 3.442 -26.146 13.216 1.00 12.50 H new ATOM 0 HE3 LYS A 56 2.097 -25.174 13.780 1.00 12.50 H new ATOM 0 HZ1 LYS A 56 4.175 -24.447 14.758 1.00 63.13 H new ATOM 0 HZ2 LYS A 56 3.144 -25.045 15.967 1.00 63.13 H new ATOM 0 HZ3 LYS A 56 4.446 -25.987 15.420 1.00 63.13 H new ATOM 1005 N ASN A 57 -1.707 -27.116 17.261 1.00 42.51 N ATOM 1006 CA ASN A 57 -1.550 -26.743 18.662 1.00 13.12 C ATOM 1007 C ASN A 57 -1.741 -27.953 19.571 1.00 21.44 C ATOM 1008 O ASN A 57 -1.208 -28.001 20.680 1.00 15.25 O ATOM 1009 CB ASN A 57 -2.551 -25.648 19.036 1.00 12.05 C ATOM 1010 CG ASN A 57 -2.050 -24.768 20.164 1.00 11.43 C ATOM 1011 OD1 ASN A 57 -2.681 -24.669 21.217 1.00 34.01 O ATOM 1012 ND2 ASN A 57 -0.910 -24.122 19.950 1.00 15.52 N ATOM 0 H ASN A 57 -2.606 -26.858 16.854 1.00 42.51 H new ATOM 0 HA ASN A 57 -0.538 -26.363 18.799 1.00 13.12 H new ATOM 0 HB2 ASN A 57 -2.755 -25.031 18.161 1.00 12.05 H new ATOM 0 HB3 ASN A 57 -3.495 -26.107 19.329 1.00 12.05 H new ATOM 0 HD21 ASN A 57 -0.524 -23.515 20.673 1.00 15.52 H new ATOM 0 HD22 ASN A 57 -0.420 -24.233 19.062 1.00 15.52 H new ATOM 1019 N LYS A 58 -2.504 -28.931 19.094 1.00 61.40 N ATOM 1020 CA LYS A 58 -2.764 -30.143 19.861 1.00 73.34 C ATOM 1021 C LYS A 58 -3.428 -29.812 21.193 1.00 12.23 C ATOM 1022 O LYS A 58 -3.083 -30.381 22.228 1.00 20.10 O ATOM 1023 CB LYS A 58 -1.460 -30.907 20.105 1.00 74.10 C ATOM 1024 CG LYS A 58 -0.594 -31.044 18.865 1.00 74.12 C ATOM 1025 CD LYS A 58 0.679 -31.821 19.156 1.00 0.23 C ATOM 1026 CE LYS A 58 1.724 -30.947 19.830 1.00 43.43 C ATOM 1027 NZ LYS A 58 2.387 -30.029 18.862 1.00 42.25 N ATOM 0 H LYS A 58 -2.953 -28.907 18.179 1.00 61.40 H new ATOM 0 HA LYS A 58 -3.443 -30.770 19.283 1.00 73.34 H new ATOM 0 HB2 LYS A 58 -0.890 -30.397 20.882 1.00 74.10 H new ATOM 0 HB3 LYS A 58 -1.697 -31.901 20.484 1.00 74.10 H new ATOM 0 HG2 LYS A 58 -1.158 -31.549 18.080 1.00 74.12 H new ATOM 0 HG3 LYS A 58 -0.339 -30.054 18.487 1.00 74.12 H new ATOM 0 HD2 LYS A 58 0.448 -32.673 19.796 1.00 0.23 H new ATOM 0 HD3 LYS A 58 1.083 -32.221 18.226 1.00 0.23 H new ATOM 0 HE2 LYS A 58 1.254 -30.363 20.621 1.00 43.43 H new ATOM 0 HE3 LYS A 58 2.475 -31.579 20.304 1.00 43.43 H new ATOM 0 HZ1 LYS A 58 3.183 -29.548 19.329 1.00 42.25 H new ATOM 0 HZ2 LYS A 58 2.740 -30.576 18.051 1.00 42.25 H new ATOM 0 HZ3 LYS A 58 1.702 -29.321 18.530 1.00 42.25 H new ATOM 1041 N ALA A 59 -4.385 -28.890 21.158 1.00 14.22 N ATOM 1042 CA ALA A 59 -5.100 -28.486 22.363 1.00 62.13 C ATOM 1043 C ALA A 59 -6.535 -29.003 22.349 1.00 21.41 C ATOM 1044 O ALA A 59 -7.252 -28.841 21.363 1.00 72.23 O ATOM 1045 CB ALA A 59 -5.084 -26.971 22.503 1.00 50.14 C ATOM 0 H ALA A 59 -4.683 -28.409 20.309 1.00 14.22 H new ATOM 0 HA ALA A 59 -4.592 -28.925 23.222 1.00 62.13 H new ATOM 0 HB1 ALA A 59 -5.621 -26.683 23.407 1.00 50.14 H new ATOM 0 HB2 ALA A 59 -4.053 -26.622 22.567 1.00 50.14 H new ATOM 0 HB3 ALA A 59 -5.566 -26.520 21.635 1.00 50.14 H new ATOM 1051 N GLU A 60 -6.945 -29.627 23.449 1.00 4.41 N ATOM 1052 CA GLU A 60 -8.294 -30.168 23.561 1.00 74.40 C ATOM 1053 C GLU A 60 -9.272 -29.100 24.041 1.00 65.33 C ATOM 1054 O GLU A 60 -9.286 -28.742 25.218 1.00 11.11 O ATOM 1055 CB GLU A 60 -8.311 -31.360 24.521 1.00 2.02 C ATOM 1056 CG GLU A 60 -9.429 -32.351 24.242 1.00 63.12 C ATOM 1057 CD GLU A 60 -9.200 -33.144 22.970 1.00 31.40 C ATOM 1058 OE1 GLU A 60 -9.589 -32.657 21.888 1.00 71.42 O ATOM 1059 OE2 GLU A 60 -8.631 -34.252 23.057 1.00 32.24 O ATOM 0 H GLU A 60 -6.363 -29.770 24.274 1.00 4.41 H new ATOM 0 HA GLU A 60 -8.606 -30.502 22.572 1.00 74.40 H new ATOM 0 HB2 GLU A 60 -7.354 -31.878 24.460 1.00 2.02 H new ATOM 0 HB3 GLU A 60 -8.410 -30.992 25.542 1.00 2.02 H new ATOM 0 HG2 GLU A 60 -9.519 -33.038 25.083 1.00 63.12 H new ATOM 0 HG3 GLU A 60 -10.375 -31.815 24.166 1.00 63.12 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.066 12.865 -4.662 1.00 52.00 ZN